CHEBI:83040 - epiandrosterone sulfate

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ChEBI Name epiandrosterone sulfate ChEBI ID CHEBI:83040 Definition A steroid sulfate that is the 3-sulfate of epiandrosterone. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H30O5S Net Charge 0 Average Mass 370.505 Monoisotopic Mass 370.18140 InChI InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14-,15-,16-,18-,19-/m0/s1 InChIKey ZMITXKRGXGRMKS-LUJOEAJASA-N SMILES C1[C@@]2([C@@]([C@@]3([C@](C[C@@H](OS(O)(=O)=O)CC3)(C1)[H])C)(CC[C@@]4(C(CC[C@@]24[H])=O)C)[H])[H] Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing epiandrosterone sulfate (CHEBI:83040) has functional parent epiandrosterone (CHEBI:541975) epiandrosterone sulfate (CHEBI:83040) has parent hydride 5α-androstane (CHEBI:28859) epiandrosterone sulfate (CHEBI:83040) has role human metabolite (CHEBI:77746) epiandrosterone sulfate (CHEBI:83040) has role mouse metabolite (CHEBI:75771) epiandrosterone sulfate (CHEBI:83040) is a 17-oxo steroid (CHEBI:19168) epiandrosterone sulfate (CHEBI:83040) is a androstanoid (CHEBI:50402) epiandrosterone sulfate (CHEBI:83040) is a steroid sulfate (CHEBI:16158) epiandrosterone sulfate (CHEBI:83040) is conjugate acid of epiandrosterone sulfate(1−) (CHEBI:133729) Incoming epiandrosterone sulfate(1−) (CHEBI:133729) is conjugate base of epiandrosterone sulfate (CHEBI:83040) IUPAC Name 17-oxo-5α-androstan-3β-yl hydrogen sulfate Synonym Source (3β,5α)-17-oxoandrostan-3-yl hydrogen sulfate IUPAC Registry Number Type Source 2225705 Reaxys Registry Number Reaxys Citations Types Sources 11711114 PubMed citation Europe PMC 1926228 PubMed citation Europe PMC 2171821 PubMed citation Europe PMC 8987136 PubMed citation Europe PMC Last Modified 14 October 2016