chenodeoxycholic acid
A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.
Exact Synonyms
3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
Chenodeoxycholic acid
Related Synonyms
3alpha,7alpha-Dihydroxy-5beta-cholanic acid
7alpha-hydroxylithocholic acid
anthropodeoxycholic acid
anthropodesoxycholic acid
CDCA
chenic acid
Chenix
Chenodiol
gallodesoxycholic acid
class Information
charge
0
formula
C24H40O4
has_alternative_id
has_dbxref
has_obo_namespace
chebi_ontology
inchi
InChI=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
inchikey
RUDATBOHQWOJDD-BSWAIDMHSA-N
in_subset
mass
392.57200
monoisotopicmass
392.29266
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@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O
class Relations
Subclass of
Related from
has functional parent
is conjugate base of