CHEBI:186751 - 17-hydroxy-1-oxo-2,3-seco-androstan-3-oic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 17-hydroxy-1-oxo-2,3-seco-androstan-3-oic acid
ChEBI ID CHEBI:186751
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H30O4
Net Charge 0
Average Mass 322.445
Monoisotopic Mass 322.21441
InChI InChI=1S/C19H30O4/c1-11(20)19(3)12(10-17(22)23)4-5-13-14-6-7-16(21)18(14,2)9-8-15(13)19/h12-16,21H,4-10H2,1-3H3,(H,22,23)/t12-,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey UVMGMKYQPLCEGR-LUJOEAJASA-N
SMILES O[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]([C@@H](CC3)CC(O)=O)(C)C(=O)C)(CC2)[H])[H])(CC1)[H])C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 17-hydroxy-1-oxo-2,3-seco-androstan-3-oic acid (CHEBI:186751) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name
2-[(3S,3aS,5aS,6S,7S,9aS,9bS)-6-acetyl-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetic acid
Manual Xrefs Databases
113385440 ChemSpider
LMST02020113 LIPID MAPS
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