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CHEBI:172973 - (20,23-cyclo)-cholest-5-en-3beta-ol

ChEBI IDCHEBI:172973
ChEBI Name(20,23-cyclo)-cholest-5-en-3beta-ol
Stars
Last Modified17 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
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])C1(C)CC1CC(C)C
InChIInChI=1S/C27H44O/c1-17(2)14-19-16-27(19,5)24-9-8-22-21-7-6-18-15-20(28)10-12-25(18,3)23(21)11-13-26(22,24)4/h6,17,19-24,28H,7-16H2,1-5H3/t19?,20-,21-,22-,23-,24-,25-,26-,27?/m0/s1
InChIKeyDGMBRFFGNNFDAC-DZESUMFASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
(20,23-cyclo)-cholest-5-en-3beta-ol (CHEBI:172973) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name 
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[1-methyl-2-(2-methylpropyl)cyclopropyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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