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CHEBI:137810 - 3β,6α,7α-trihydroxy-5β-cholan-24-oic acid

ChEBI IDCHEBI:137810
ChEBI Name3β,6α,7α-trihydroxy-5β-cholan-24-oic acid
Stars
ASCII Name3beta,6alpha,7alpha-trihydroxy-5beta-cholan-24-oic acid
Last Modified11 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILES[H][C@]1([C@]([H])(C)CCC(=O)O)CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]3([H])[C@@H](O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
InChIKeyDKPMWHFRUGMUKF-RIDSGAKHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3β,6α,7α-trihydroxy-5β-cholan-24-oic acid (CHEBI:137810) is a bile acid (CHEBI:3098)
Manual XrefsDatabases
LMST04010068LIPID MAPS