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CHEBI:186912 - 18-hydroxypregna-1,4,20-trien-3-one

ChEBI IDCHEBI:186912
ChEBI Name18-hydroxypregna-1,4,20-trien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(CO)[C@@H](C=C)CC[C@]12[H]
InChIInChI=1S/C21H28O2/c1-3-14-5-7-19-17-6-4-15-12-16(23)8-10-20(15,2)18(17)9-11-21(14,19)13-22/h3,8,10,12,14,17-19,22H,1,4-7,9,11,13H2,2H3/t14-,17+,18-,19-,20-,21-/m0/s1
InChIKeyLPXBEBAANZZYRB-HIQBCGIASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
18-hydroxypregna-1,4,20-trien-3-one (CHEBI:186912) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
(8R,9S,10R,13S,14S,17R)-17-ethenyl-13-(hydroxymethyl)-10-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
20169506ChemSpider
LMST02030209LIPID MAPS