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

ChEBI IDCHEBI:142846
ChEBI Name3β-hydroxy-9β-9,19-cyclolanost-24-en-28-oate
Stars
ASCII Name3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oate
DefinitionA 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.
Last Modified27 February 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H47O3
Net Charge-1
Average Mass455.703
Monoisotopic Mass455.35307
SMILES[H][C@@]12CC[C@]3([H])[C@@]4(CC[C@H](O)[C@@]3(C)C(=O)[O-])C[C@@]14CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC=C(C)C
InChIInChI=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
InChIKeyGHMALMMXVUBOFV-TWOGUOSYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
4α-carboxylato-4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-olChEBI
UniProt Name  Source
4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-olUniProt
Manual XrefsDatabases
CPD-12919MetaCyc
Citations