CHEBI:81242 - 12-Epideoxycholic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12-Epideoxycholic acid
ChEBI ID CHEBI:81242
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H40O4
Net Charge 0
Average Mass 392.57200
Monoisotopic Mass 392.29266
InChI InChI=1S/C24H40O4/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/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21-,23+,24-/m1/s1
InChIKey KXGVEGMKQFWNSR-MFSKYVBHSA-N
SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
ChEBI Ontology
Outgoing 12-Epideoxycholic acid (CHEBI:81242) is a cholanoid (CHEBI:36078)
Synonym Source
12-Epideoxycholate KEGG COMPOUND
Manual Xrefs Databases
C17646 KEGG COMPOUND
HMDB0000411 HMDB
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