HYODEOXYCHOLIC ACID
(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Identity
HYODEOXYCHOLIC ACID
(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
PubChem CID: 5283820
Hyodeoxycholic acid is a member of the class of 5beta-cholanic acids that is (5beta)-cholan-24-oic acid substituted by alpha-hydroxy groups at positions 3 and 6. It is a bioactive compound extracted from Calculus bovis. It has a role as a mouse metabolite and a human metabolite. It is a C24-steroid, a bile acid, a member of 5beta-cholanic acids and a 6alpha,20xi-murideoxycholic acid. It is functionally related to a cholic acid. It is a conjugate acid of a hyodeoxycholate.
2D Structure
Properties
C24H40O4
Molecular Formula
392.60
Molecular Weight
g/mol
392.2927
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
77.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
605
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
HYODEOXYCHOLIC ACID83-49-8Hyodesoxycholic acidHDCAIodeoxycholic acid7-Deoxyhyocholic acid3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acidHYODEOXYCHOLIC_ACID7A33Y6EHYKAHRO-001alpha-Hyodeoxycholic acidNSC-606723alpha,6alpha-Dihydroxy-5beta-cholanic acidCHEBI:52023DTXSID001018971
Data from PubChem (NCBI)
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Trials and conditions connected to HYODEOXYCHOLIC ACID
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