CHEBI:142846 - 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate

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ChEBI Name 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate
ChEBI ID CHEBI:142846
ChEBI ASCII Name 3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oate
Definition A steroid acid anion resulting from the deprotonation of the carboxy group of 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C30H47O3
Net Charge -1
Average Mass 455.704
Monoisotopic Mass 455.35307
InChI InChI=1S/C30H48O3/c1-19(2)8-7-9-20(3)21-12-14-27(5)22-10-11-23-28(6,25(32)33)24(31)13-15-29(23)18-30(22,29)17-16-26(21,27)4/h8,20-24,31H,7,9-18H2,1-6H3,(H,32,33)/p-1/t20-,21-,22+,23+,24+,26-,27+,28+,29-,30+/m1/s1
InChIKey GHMALMMXVUBOFV-TWOGUOSYSA-M
SMILES [C@]123[C@@]4([C@]([C@]([C@@H](O)CC4)(C)C(=O)[O-])(CC[C@]1([C@]5(C)CC[C@@]([C@]5(CC2)C)([C@@H](CCC=C(C)C)C)[H])[H])[H])C3
ChEBI Ontology
Outgoing 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate (CHEBI:142846) is a steroid acid anion (CHEBI:50160)
3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate (CHEBI:142846) is conjugate base of 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728)
Incoming 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oic acid (CHEBI:145728) is conjugate acid of 3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate (CHEBI:142846)
IUPAC Name
3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate
Synonyms Sources
4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol UniProt
4α-carboxylato-4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol ChEBI
Manual Xref Database
CPD-12919 MetaCyc
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Citations Waiting for Citations Types Sources
8505296 PubMed citation SUBMITTER
9240456 PubMed citation SUBMITTER
Last Modified
27 February 2024