Terminology Service for NFDI4Health
3-deoxychenodeoxycholic acid
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http://purl.obolibrary.org/obo/CHEBI_73676
A monohydroxy-5beta-cholanic acid in which the hydroxy group is located at the 7alpha-position. A structural derivative of the bile acid, chenodeoxycholic acid.
Term info
Label
3-deoxychenodeoxycholic acid
Synonyms
- (5beta,7alpha)-7-hydroxycholan-24-oic acid
Subsets
3_STAR
charge
0
formula
C24H40O3
has obo namespace
chebi_ontology
has related synonym
7alpha-hydroxy-5beta-cholanic acid, 7alpha-hydroxy-5beta-cholan-24-oic acid, 3-deoxyCDCA, 3-deoxy-CDCA
id
CHEBI:73676
inchi
InChI=1S/C24H40O3/c1-15(7-10-21(26)27)17-8-9-18-22-19(11-13-24(17,18)3)23(2)12-5-4-6-16(23)14-20(22)25/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1
inchikey
JVMCMMXFADJQKU-MMSVWBHPSA-N
mass
376.57260
monoisotopicmass
376.29775
smiles
[H][C@@]12CCCC[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
Term relations
Subclass of: