CHEBI:71567 - (25S)-cholestenoate

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ChEBI Name (25S)-cholestenoate ChEBI ID CHEBI:71567 ChEBI ASCII Name (25S)-cholestenoate Definition A steroid acid anion that is the conjugate base of (25S)-cholestenoic 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 Alan Bridge Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H43O3 Net Charge -1 Average Mass 415.62850 Monoisotopic Mass 415.32177 InChI InChI=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 InChIKey WVXOMPRLWLXFAP-DDMWTQRYSA-M SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@H](C)C([O-])=O ChEBI Ontology Outgoing (25S)-cholestenoate (CHEBI:71567) is a 3β-hydroxycholest-5-en-26-oate (CHEBI:84146) (25S)-cholestenoate (CHEBI:71567) is conjugate base of (25S)-cholestenoic acid (CHEBI:71616) Incoming (25S)-cholestenoic acid (CHEBI:71616) is conjugate acid of (25S)-cholestenoate (CHEBI:71567) IUPAC Name (25S)-3β-hydroxycholest-5-en-26-oate Synonyms Sources (25S)-3β-hydroxy-5-cholestenoate UniProt (3β,25S)-3-hydroxycholest-5-en-26-oate IUPAC Citation Type Source 19005586 PubMed citation SUBMITTER Last Modified 12 August 2021