Thymidine, 3'-azido-3'-deoxy-

Type: Neutral molecule
CAS: 30516-87-1
EC: —
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 57 across every transformer

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

3'-azido-3'-deoxythymidine
3-Azido-3-deoxythymidine
3′-Azido-3′-deoxythymidine
3′-Azidothymidine
3′-AZT
3′-Deoxy-3′-azidothymidine
Azidothymidine
Azitidin
AZT
AZT (pharmaceutical)
BW-A 509U
Combvir
Compound S
Retrovir
Retrovir IV
Retrovis
Thymidine, 3′-azido-3′-deoxy-
Timazid
Viro-Z
ZDV
Zido-H
Zidovudin
zidovudine
Zidovudinum
ZVD

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	HBOMLICNUCNMMY-XLPZGREQSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
IUPAC name chemrof:IUPAC_name	Thymidine, 3'-azido-3'-deoxy-
Molecular formula chemrof:molecular_formula	C10H13N5O4
Molecular mass chemrof:molecular_mass	267.245
Monoisotopic mass chemrof:monoisotopic_mass	267.09675, 267.096754
SMILES string chemrof:smiles_string	Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
beilstein	beilstein:763034	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=30516-87-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10110	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.152.492	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8020127	enrich_references.pubchem_identifier_url
DrugBank	https://go.drugbank.com/drugs/DB00495	enrich_references.chebi_xrefs
drugbank.ca	https://www.drugbank.ca/drugs/DB00495	enrich_references.pubchem_identifier_url
drugcentral	drugcentral:2861	enrich_references.chebi_xrefs
drugcentral.org	https://drugcentral.org/drugcard/2861	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758185	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL129	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4B9XT59T7S	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0014638	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.566D	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C07210	enrich_references.chebi_xrefs
KEGG	https://www.genome.jp/entry/D00413	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C07210	enrich_references.pubchem_identifier_url
kegg.jp	https://www.kegg.jp/entry/D00413	enrich_references.pubchem_identifier_url
lincs.smallmolecule	lincs.smallmolecule:LSM-5806	enrich_references.chebi_xrefs
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42839	enrich_references.pubchem_identifier_url
MetaCyc	https://metacyc.org/compound?orgid=META&id=CPD-15110	enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C947	enrich_references.pubchem_identifier_url
patent	patent:US4724232	enrich_references.chebi_xrefs
pdb-ccd	pdb-ccd:AZZ	enrich_references.chebi_xrefs
pharmgkb.org	https://www.pharmgkb.org/chemical/PA451954	enrich_references.pubchem_identifier_url
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL129	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/35370	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000001	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000592	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000596	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000759	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000760	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001533	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001534	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001535	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001705	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001706	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001707	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001708	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001709	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001710	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001711	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001803	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001890	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001913	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001914	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=005243	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=005888	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=006407	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=058048	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=060006	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=106464	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=106819	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=335082	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=352656	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=415079	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=594975	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=594976	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=594977	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/19112024	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/26859826	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/29438107	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/9203666	enrich_references.chebi_xrefs
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/11413	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q198504	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Zidovudine	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
f3d67411-631c-4119-8eda-6630d2e57d2f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
b61b7936-2f2c-4e4f-8d0b-2b8db4197833	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c83eac32-fa89-41ba-b720-8dacf778ecc1	Environmental → Air → Indoor	EF 3.1	kg	2
99120119-c592-45fb-a911-7f88ce5328af	Environmental → Air → Long-term	EF 3.1	kg	0
bc15f09a-7750-4321-974c-1558259f071c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
b576a01d-68c8-47d0-aec3-a75b0b440547	Environmental → Air → Unknown	EF 3.1	kg	2
09efb637-7eb6-4045-90ef-52072b84f349	Environmental → Ground → Agricultural	EF 3.1	kg	2
b82aef60-9a9e-43d9-9fc4-fafcef1dfb11	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
439691c8-4a2c-4a9c-96a9-efea103cab96	Environmental → Ground → Unknown	EF 3.1	kg	2
0eaaace1-ea42-43da-9770-d3f2173ae8ba	Environmental → Water → Long-term	EF 3.1	kg	0
a9f60657-bf7f-486c-a7fb-0c6459aa4dd2	Environmental → Water → Ocean	EF 3.1	kg	2
3a7bcc3b-8538-4831-bbb6-e9cb0fc7efee	Environmental → Water → Surface water	EF 3.1	kg	2
d6876fae-0430-46c6-9edb-ceacc4cd1a4a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-0448bfec640c6198",
  "prefLabel": [
    {
      "@value": "Thymidine, 3'-azido-3'-deoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3'-azido-3'-deoxythymidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_10110"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Azido-3-deoxythymidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3′-Azido-3′-deoxythymidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3′-Azidothymidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3′-AZT",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3′-Deoxy-3′-azidothymidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Azidothymidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_10110"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Azitidin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "AZT",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_10110"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "AZT (pharmaceutical)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BW-A 509U",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Combvir",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Compound S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Retrovir",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_10110"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Retrovir IV",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Retrovis",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thymidine, 3′-azido-3′-deoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Timazid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Viro-Z",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ZDV",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zido-H",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:30516-87-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=30516-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zidovudin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_10110"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "zidovudine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_10110"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Zidovudinum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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Thymidine, 3'-azido-3'-deoxy-

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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