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CHEBI:58803 - 7α,12α-dihydroxy-3-oxochol-4-en-24-oate

ChEBI IDCHEBI:58803
ChEBI Name7α,12α-dihydroxy-3-oxochol-4-en-24-oate
Stars
ASCII Name7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate
DefinitionConjugate base of 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid.
Last Modified1 April 2015
DownloadsMolfile
FormulaC24H35O5
Net Charge-1
Average Mass403.539
Monoisotopic Mass403.24900
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)[O-])[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/p-1/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKeyZZUMXQCSMJCDDC-DFQOQHGMSA-M
ChEBI Ontology
Outgoing Relation(s)
7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803) is a carboxylic acid anion (CHEBI:29067)
7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803) is a steroid acid anion (CHEBI:50160)
7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803) is conjugate base of 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269)
Incoming Relation(s)
7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is conjugate acid of 7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803)
IUPAC Name 
7α,12α-dihydroxy-3-oxochol-4-en-24-oate
Synonym  Source
(7α,12α)-7,12-dihydroxy-3-oxochol-4-en-24-oateChEBI
UniProt Name  Source
7α,12α-dihydroxy-3-oxochol-4-en-24-oateUniProt