Consensus flow list

5-azacytidine

fo-ad9ef247c4e76d30

Identity

Type
Neutral molecule
CAS
320-67-2
EC
206-280-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5-azacytidine

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

Alternative labels

26

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NMUSYJAQQFHJEW-KVTDHHQDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
IUPAC name chemrof:IUPAC_name 5-azacytidine
Molecular formula chemrof:molecular_formula C8H12N4O5
Molecular mass chemrof:molecular_mass 244.207
Monoisotopic mass chemrof:monoisotopic_mass 244.080769, 244.08077
SMILES string chemrof:smiles_string Nc1ncn(C2OC(CO)C(O)C2O)c(=O)n1

Known URLs

39

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=320-67-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:2038 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.711 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9020116 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00928 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00928 enrich_references.pubchem_identifier_url
drugcentral drugcentral:25 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/25 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758186 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1489 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M801H13NRU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015063 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.523G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11262 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D03021 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11262 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03021 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5218 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43193 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C288 enrich_references.pubchem_identifier_url
patent patent:KR20140069225 enrich_references.chebi_xrefs
patent patent:US2015038444 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451996 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/APQ4TYS6L28M enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1489 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9444 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000615 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=588891 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11841042 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15962522 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17611569 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28131982 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28415666 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28486212 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29438107 enrich_references.chebi_xrefs
reaxys reaxys:620461 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1251 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q416451 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Azacitidine enrich_references.chebi_xrefs

Elementary flows

12
Flow Context Source Unit CFs
04202032-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
08a91e70-3ddc-11dd-a05c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-a05b-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a05d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-ae55-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-ae53-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-9088-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-ae54-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-9086-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9089-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
08a91e70-3ddc-11dd-a05e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
4d9a8790-3ddd-11dd-9087-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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    },
    {
      "@value": "Antibiotic U 18496",
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    {
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    },
    {
      "@value": "AZA (azacitidine)",
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    },
    {
      "@value": "azacitidinum",
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    {
      "@value": "Azacytidine",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Ladakamycin",
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    },
    {
      "@value": "Ledakamycin",
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      "provenance": {
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    },
    {
      "@value": "MeSH ID: D001374",
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    },
    {
      "@value": "Mylosar",
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    },
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      "@value": "NSC 103-627",
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      "@value": "Onureg",
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    {
      "@value": "s-Triazin-2(1H)-one, 4-amino-1-β-D-ribofuranosyl-",
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    },
    {
      "@value": "Vidaza",
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    },
    {
      "@value": "WR 183027",
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}

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