Consensus flow list

Oxytetracycline

fo-c2f9ac26736e4e2e

Identity

Type
Neutral molecule
CAS
79-57-2
EC
201-212-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Oxytetracycline

This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

69

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IWVCMVBTMGNXQD-PXOLEDIWSA-N, OWFJMIVZYSDULZ-PXOLEDIWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1, InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31), InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O, [H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O
IUPAC name chemrof:IUPAC_name (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-6-methyl-1,5,6,10,11,12a-hexakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Molecular formula chemrof:molecular_formula C22H24N2O9
SMILES string chemrof:smiles_string CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3C(O)C12, CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12

Known URLs

54

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:2686362 enrich_references.chebi_xrefs
bpdb bpdb:503 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=79-57-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27701 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.765 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.432.113 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1034260 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201370921 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00595 enrich_references.chebi_xrefs
drugcentral drugcentral:2041 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2041 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1401333 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1517 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4280957 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL461529 enrich_references.pubchem_identifier_url
gmelin gmelin:623487 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SLF0D9077S enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014733 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.847D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06624 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06624 enrich_references.pubchem_identifier_url
knapsack knapsack:C00017127 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMPK07000005 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=104658 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61872 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C66287 enrich_references.pubchem_identifier_url
pesticides pesticides:oxytetracycline enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1517 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54675779 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=008311 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/1650428 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17386724 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17638695 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17870541 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1833366 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21136283 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21488905 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22013404 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24247133 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24281679 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24290103 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24362004 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24510709 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24607684 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24853528 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24983832 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25019386 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25035320 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25081007 enrich_references.chebi_xrefs
reaxys reaxys:2714587 enrich_references.chebi_xrefs
vsdb vsdb:503 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q119892519 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q411646 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Oxytetracycline enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f6284689-9b11-4588-940b-b62f39a051f4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9fc77a30-a757-470d-9608-2d5b3d8a7b4b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d73e5676-229c-425d-89e9-92f15dd45ce5 Environmental → Air → Indoor EF 3.1 kg 2
aa3338c3-cf24-4b0a-bcbc-113427091ef8 Environmental → Air → Long-term EF 3.1 kg 0
6a816e4c-b935-4d1c-9137-f3317dbbc946 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e8c2add8-84a5-4fde-a7fe-4dde93939a76 Environmental → Air → Unknown EF 3.1 kg 2
e03eed3a-2793-4f71-90db-539596373f7b Environmental → Ground → Agricultural EF 3.1 kg 2
5828a819-b778-4ec3-8fc9-06a72d338770 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cef9c9cd-3812-44ea-88a9-4bdf4de67dc5 Environmental → Ground → Unknown EF 3.1 kg 2
2a9af29c-d58b-49de-a496-23ce6abf0873 Environmental → Water → Long-term EF 3.1 kg 0
68325b84-a684-4633-992f-9094b405f009 Environmental → Water → Ocean EF 3.1 kg 2
b9309cb6-d73d-433c-9d9c-a91f86c099c8 Environmental → Water → Surface water EF 3.1 kg 2
5792908f-b162-4b0d-b02c-e4dcd26900d2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c2f9ac26736e4e2e",
  "prefLabel": [
    {
      "@value": "Oxytetracycline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-",
      "@language": "en",
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      }
    },
    {
      "@value": "2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4α,4aα,5α,5aα,6β,12aα)]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Hydroxytetracycline",
      "@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_27701"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Abbocin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adamycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antibiotic TM 25",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Berkmycen",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Biostat PA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clinimycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dabicycline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Erfamycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fanterrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Geomycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Geomycin (Streptomyces vimosus)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Geotilin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Imperacin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lenocycline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Liquamycin LA 200",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-57-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Macocyn",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-57-2",
          "EF 3.1",
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