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CHEBI:193152 - 12α-hydroxy-3-oxochola-4-en-24-oate(1−)

Default Structure
ChEBI IDCHEBI:193152
ChEBI Name12α-hydroxy-3-oxochola-4-en-24-oate(1−)
Stars
ASCII Name12alpha-hydroxy-3-oxochola-4-en-24-oate(1-)
Submitterlaimo
DownloadsMolfile
FormulaC24H35O4
Net Charge-1
Average Mass387.540
Monoisotopic Mass387.25408
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)[O-]
InChIInChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h12,14,17-21,26H,4-11,13H2,1-3H3,(H,27,28)/p-1/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKeyBGHDKUPKUZDVRW-QUPGBHKMSA-M
ChEBI Ontology
Outgoing Relation(s)
12α-hydroxy-3-oxochola-4-en-24-oate(1−) (CHEBI:193152) is a cholanic acid anion (CHEBI:131878)
Synonym  Source
3-oxo-4,5-dehydro-DCA(1−)SUBMITTER
UniProt Name  Source
12α-hydroxy-3-oxochola-4-en-24-oateUniProt
Citations