CHEBI:188017 - 5beta-Cholane-3alpha,6alpha,24-triol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5beta-Cholane-3alpha,6alpha,24-triol
ChEBI ID CHEBI:188017
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H42O3
Net Charge 0
Average Mass 378.597
Monoisotopic Mass 378.31340
InChI InChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-17-14-22(27)21-13-16(26)8-10-24(21,3)20(17)9-11-23(18,19)2/h15-22,25-27H,4-14H2,1-3H3/t15-,16-,17+,18-,19+,20+,21+,22+,23-,24-/m1/s1
InChIKey QURUUUBBQMXRPI-KUEYJUPNSA-N
SMILES O[C@@H]1[C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCO)C)[H])(CC3)C)[H])(C1)[H])[H])(CC[C@@H](O)C2)C)[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5beta-Cholane-3alpha,6alpha,24-triol (CHEBI:188017) is a bile acid (CHEBI:3098)
IUPAC Name
(3R,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxypentan-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-diol
Manual Xrefs Databases
4447147 ChemSpider
LMST04010310 LIPID MAPS
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