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CHEBI:81258 - Allochenodeoxycholate

ChEBI IDCHEBI:81258
ChEBI NameAllochenodeoxycholate
Stars
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKeyRUDATBOHQWOJDD-IKAPKQLESA-N
ChEBI Ontology
Outgoing Relation(s)
Allochenodeoxycholate (CHEBI:81258) is a cholanoid (CHEBI:36078)
Synonyms  Source
Allochenodeoxycholic acidKEGG COMPOUND
3alpha,7alpha-Dihydroxy-5alpha-cholanoic acidKEGG COMPOUND
Manual XrefsDatabases
C17664KEGG COMPOUND