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CHEBI:173042 - 22S,23S-methylenecholest-5-en-3beta-ol

ChEBI IDCHEBI:173042
ChEBI Name22S,23S-methylenecholest-5-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@]1([C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@@]32C)C[C@@H]1CC(C)C
InChIInChI=1S/C28H46O/c1-17(2)14-19-15-23(19)18(3)24-8-9-25-22-7-6-20-16-21(29)10-12-27(20,4)26(22)11-13-28(24,25)5/h6,17-19,21-26,29H,7-16H2,1-5H3/t18-,19+,21+,22+,23-,24-,25+,26+,27+,28-/m1/s1
InChIKeyMEMPEKZNYBWOLL-PGGYDQFISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
22S,23S-methylenecholest-5-en-3beta-ol (CHEBI:173042) has parent hydride gorgostane (CHEBI:24424)
22S,23S-methylenecholest-5-en-3beta-ol (CHEBI:173042) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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