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CHEBI:172126 - 5b-Cholestane-3a,7a,12a,24,25-pentol

ChEBI IDCHEBI:172126
ChEBI Name5b-Cholestane-3a,7a,12a,24,25-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O5
Net Charge0
Average Mass452.676
Monoisotopic Mass452.35017
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@@]21C
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-OOOZRTEJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
5b-Cholestane-3a,7a,12a,24,25-pentol (CHEBI:172126) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-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
HMDB0000556HMDB
LMST04030039LIPID MAPS
13628107ChemSpider