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CHEBI:187418 - (25S)-5alpha-cholestan-3beta,6beta,15alpha,16beta,26-pentol

ChEBI IDCHEBI:187418
ChEBI Name(25S)-5alpha-cholestan-3beta,6beta,15alpha,16beta,26-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O5
Net Charge0
Average Mass452.676
Monoisotopic Mass452.35017
SMILES[H][C@]1([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](O)[C@@]2([H])[C@]3([H])C[C@@H](O)[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C27H48O5/c1-15(14-28)6-5-7-16(2)22-24(31)25(32)23-18-13-21(30)20-12-17(29)8-10-26(20,3)19(18)9-11-27(22,23)4/h15-25,28-32H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21+,22-,23+,24+,25+,26+,27+/m0/s1
InChIKeyLOHYQIICSUGJLE-ULEKDTFZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(25S)-5alpha-cholestan-3beta,6beta,15alpha,16beta,26-pentol (CHEBI:187418) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5S,6R,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol
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