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CHEBI:172972 - (22,23-dinor)-24-vinyl-cholest-5-en-3beta,24-diol

ChEBI IDCHEBI:172972
ChEBI Name(22,23-dinor)-24-vinyl-cholest-5-en-3beta,24-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)C(O)(C=C)C(C)C
InChIInChI=1S/C27H44O2/c1-7-27(29,17(2)3)18(4)22-10-11-23-21-9-8-19-16-20(28)12-14-25(19,5)24(21)13-15-26(22,23)6/h7-8,17-18,20-24,28-29H,1,9-16H2,2-6H3/t18-,20-,21-,22+,23-,24-,25-,26+,27?/m0/s1
InChIKeyVJZMDHUFPFDPDV-IEQUMJIWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
(22,23-dinor)-24-vinyl-cholest-5-en-3beta,24-diol (CHEBI:172972) is a cholanoid (CHEBI:36078)
IUPAC Name 
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-hydroxy-3-propan-2-ylpent-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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