CHEBI:87055 - 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate

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ChEBI Name 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate
ChEBI ID CHEBI:87055
ChEBI ASCII Name 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate
Definition A steroid acid anion that is the conjugate base of 3β-hydroxy-5α-cholest-8-ene-4α-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Supplier Information
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Formula C28H45O3
Net Charge -1
Average Mass 429.65560
Monoisotopic Mass 429.33742
InChI InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1
InChIKey RODBXVVNKJCWQR-GSQAGGHASA-M
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H]([C@@H]1CC3)C([O-])=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) has role human metabolite (CHEBI:77746)
3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) is a steroid acid anion (CHEBI:50160)
3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) is conjugate base of 3β-hydroxy-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87293)
3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) is tautomer of 4α-carboxy-5α-cholest-7-en-3β-ol(1−) (CHEBI:145943)
Incoming 3β-hydroxy-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87293) is conjugate acid of 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055)
4α-carboxy-5α-cholest-7-en-3β-ol(1−) (CHEBI:145943) is tautomer of 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055)
IUPAC Name
(3β,4α,5α)-3-hydroxycholest-8-ene-4-carboxylate
Synonyms Sources
4α-carboxy-5α-cholest-8-en-3β-ol(1−) ChEBI
4α-carboxy-5α-cholest-8-ene-3β-ol UniProt
Manual Xrefs Databases
CPD-8619 MetaCyc
LMST01010228 LIPID MAPS
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Last Modified
04 August 2015