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CHEBI:172123 - Cholestane-3,7,12,24,25-pentol

ChEBI IDCHEBI:172123
ChEBI NameCholestane-3,7,12,24,25-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O5
Net Charge0
Average Mass452.676
Monoisotopic Mass452.35017
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CC[C@H](O)C(C)(C)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
InChIKeyNHPWQASMMFUHIZ-YBMOUMCLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Cholestane-3,7,12,24,25-pentol (CHEBI:172123) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5S)-5,6-dihydroxy-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-3,7,12-triol
Manual XrefsDatabases
4956022ChemSpider
HMDB0002208HMDB
Registry NumbersSources
CAS:58580-61-3ChemIDplus