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CHEBI:58750 - (25R)-3α,7α-dihydroxy-5β-cholestan-26-oate

ChEBI IDCHEBI:58750
ChEBI Name(25R)-3α,7α-dihydroxy-5β-cholestan-26-oate
Stars
ASCII Name(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oate
DefinitionConjugate base of (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid.
Last Modified13 November 2017
DownloadsMolfile
FormulaC27H45O4
Net Charge-1
Average Mass433.653
Monoisotopic Mass433.33233
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC[C@@H](C)C(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/p-1/t16-,17-,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKeyITZYGDKGRKKBSN-RXDNHGQQSA-M
ChEBI Ontology
Outgoing Relation(s)
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oate (CHEBI:58750) is a bile acid anion (CHEBI:36235)
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oate (CHEBI:58750) is conjugate base of (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467)
Incoming Relation(s)
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467) is conjugate acid of (25R)-3α,7α-dihydroxy-5β-cholestan-26-oate (CHEBI:58750)
IUPAC Name 
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oate
UniProt Name  Source
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oateUniProt