EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:49277 - chola-4,6-dien-24-oic acid

ChEBI IDCHEBI:49277
ChEBI Namechola-4,6-dien-24-oic acid
Stars
Last Modified6 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H36O2
Net Charge0
Average Mass356.550
Monoisotopic Mass356.27153
SMILES[H][C@@]12C=CC3=CCCC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O
InChIInChI=1S/C24H36O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h6,8-9,16,18-21H,4-5,7,10-15H2,1-3H3,(H,25,26)/t16-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKeyGEVCCQBVZLDDJV-HGZXIFPPSA-N
ChEBI Ontology
Outgoing Relation(s)
chola-4,6-dien-24-oic acid (CHEBI:49277) is a cholenoic acid (CHEBI:49273)
Incoming Relation(s)
12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) has functional parent chola-4,6-dien-24-oic acid (CHEBI:49277)
3-oxochola-4,6-dien-24-oic acid (CHEBI:88112) has functional parent chola-4,6-dien-24-oic acid (CHEBI:49277)
IUPAC Name 
chola-4,6-dien-24-oic acid
Registry NumbersSources
Beilstein:3162958Beilstein