Consensus flow list

Dehydroepiandrosterone

fo-2a04fe7db976338b

Identity

Type
Neutral molecule
CAS
53-43-0
EC
200-175-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Dehydroepiandrosterone

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

Alternative labels

34

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FMGSKLZLMKYGDP-USOAJAOKSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
IUPAC name chemrof:IUPAC_name 3beta-Hydroxyandrost-5-en-17-one
Molecular formula chemrof:molecular_formula C19H28O2
Molecular mass chemrof:molecular_mass 288.431
Monoisotopic mass chemrof:monoisotopic_mass 288.20893
SMILES string chemrof:smiles_string CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O

Known URLs

37

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=53-43-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28689 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.160 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4020379 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01708 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01708 enrich_references.pubchem_identifier_url
drugcentral drugcentral:795 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/795 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9896 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL90593 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/459AG36T1B enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000077 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.147E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01227 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08409 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01227 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08409 enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMST02020021 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMST02020021 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=35325 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=3-BETA-HYDROXYANDROST-5-EN-17-ONE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C2265 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:AND enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451993 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/FS54HD2ZRCVL enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL90593 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5881 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000133 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/14662261 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18634257 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24256992 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24424045 enrich_references.chebi_xrefs
reaxys reaxys:2058110 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/3143 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q408376 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dehydroepiandrosterone enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Prasterone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
99d6ee8d-f6c2-441a-9754-f942bf8ef91d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bece2469-e841-4cd4-96d0-3181d19b2a0f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1384fa75-8fb3-450b-ad3f-a966dbd14600 Environmental → Air → Indoor EF 3.1 kg 4
6ffd7db2-2a90-43b9-8f33-838acce451ac Environmental → Air → Long-term EF 3.1 kg 0
4648971f-48fd-4780-8717-62b718ac7181 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c87c025f-db98-4bd9-8aff-86063f24500a Environmental → Air → Unknown EF 3.1 kg 4
76cc5980-5208-4510-85df-46438ef1b3ea Environmental → Ground → Agricultural EF 3.1 kg 4
51966410-7f23-4cd4-99d1-79eb4e56a746 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6669d539-6cd3-45c5-a0ab-432daeee7ac4 Environmental → Ground → Unknown EF 3.1 kg 4
7ce9778f-f780-47eb-889f-b9e86c4363e1 Environmental → Water → Long-term EF 3.1 kg 0
d1757b55-f98a-4659-b5d9-3bd74fc54ff1 Environmental → Water → Ocean EF 3.1 kg 4
990090ab-b508-47f1-b983-6ac70b393956 Environmental → Water → Surface water EF 3.1 kg 4
4f55643b-a4ac-46dd-baa6-46894f40f0bc Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2a04fe7db976338b",
  "prefLabel": [
    {
      "@value": "Dehydroepiandrosterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:53-43-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(3β)-3-Hydroxyandrost-5-en-17-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "17-Chetovis",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "17-Hormoforin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-BETA-HYDROXY-5-ANDROSTEN-17-ONE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "3-beta-hydroxyandrost-5-en-17-one",
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      }
    },
    {
      "@value": "3beta-Hydroxyandrost-5-en-17-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3β-Hydroxy-Δ5-androsten-17-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3β-Hydroxyandrost-5-en-17-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3β-Hydroxyandrost-5-ene-17-one",
      "@language": "en",
      "@lang": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5,6-Dehydroisoandrosterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5,6-Didehydroisoandrosterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Androsten-3β-ol-17-one",
      "@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=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Dehydroepiandrosterone",
      "@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=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Androst-5-en-17-one, 3-hydroxy-, (3β)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Androst-5-en-17-one, 3β-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Androst-5-ene-17-one-3β-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Androst-5-ene-3β-ol-17-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Androstenolone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Astenile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deandros",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dehydro-epi-androsterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dehydroisoandrosterone",
      "@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_28689"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "DHEA",
      "@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_28689"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Diandron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diandrone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Immunor",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Intrarosa",
      "@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_28689"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MeSH ID: D003687",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Prasterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Psicosterone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Siscelar plus",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-43-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-43-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "trans-Dehydroandrosterone",
      "@language": "en",
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