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CHEBI:189990 - 27alpha-Hydroxy-8-dehydrocholesterol

ChEBI IDCHEBI:189990
ChEBI Name27alpha-Hydroxy-8-dehydrocholesterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@]12CC[C@]([H])([C@H](C)CCC[C@@H](C)CO)[C@@]1(C)CCC1=C2CC=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21,23-24,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,23-,24-,26+,27-/m1/s1
InChIKeyWGJXMUYDCGMVJH-VGABTXQKSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
27alpha-Hydroxy-8-dehydrocholesterol (CHEBI:189990) is a cholanoid (CHEBI:36078)
IUPAC Name 
(3S,10S,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
HMDB0060132HMDB
30778549ChemSpider