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CHEBI:84146 - 3β-hydroxycholest-5-en-26-oate

ChEBI IDCHEBI:84146
ChEBI Name3β-hydroxycholest-5-en-26-oate
Stars
ASCII Name3beta-hydroxycholest-5-en-26-oate
DefinitionA steroid acid anion that is the conjugate base of 3β-hydroxycholest-5-en-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 August 2021
Submitternhn
DownloadsMolfile
FormulaC27H43O3
Net Charge-1
Average Mass415.638
Monoisotopic Mass415.32177
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C(=O)[O-]
InChIInChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/p-1/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyWVXOMPRLWLXFAP-AMQKJUDNSA-M
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxycholest-5-en-26-oate (CHEBI:84146) is a steroid acid anion (CHEBI:50160)
3β-hydroxycholest-5-en-26-oate (CHEBI:84146) is conjugate base of 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014)
Incoming Relation(s)
(25R)-3β-hydroxycholest-5-en-26-oate (CHEBI:86098) is a 3β-hydroxycholest-5-en-26-oate (CHEBI:84146)
(25S)-cholestenoate (CHEBI:71567) is a 3β-hydroxycholest-5-en-26-oate (CHEBI:84146)
3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014) is conjugate acid of 3β-hydroxycholest-5-en-26-oate (CHEBI:84146)
IUPAC Name 
(3β)-hydroxycholest-5-en-26-oate
UniProt Name  Source
(3β)-hydroxy-cholest-5-en-26-oateUniProt
Citations