U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O5
Molecular Weight 408.5714
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYOCHOLIC ACID

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O

InChI

InChIKey=DKPMWHFRUGMUKF-KWXDGCAGSA-N
InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H40O5
Molecular Weight 408.5714
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Profile of urinary bile acids in infants and children: developmental pattern of excretion of unsaturated ketonic bile acids and 7beta-hydroxylated bile acids.
1999 Apr
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:36 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:36 GMT 2023
Record UNII
2H5H0Q47FL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYOCHOLIC ACID
Common Name English
.GAMMA.-MURICHOLIC ACID
Common Name English
CHOLAN-24-OIC ACID, 3,6,7-TRIHYDROXY-, (3.ALPHA.,5.BETA.,6.ALPHA.,7.ALPHA.)-
Common Name English
.ALPHA.-HYOCHOLIC ACID
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20862167
Created by admin on Fri Dec 15 19:51:36 GMT 2023 , Edited by admin on Fri Dec 15 19:51:36 GMT 2023
PRIMARY
WIKIPEDIA
Hyocholic acid
Created by admin on Fri Dec 15 19:51:36 GMT 2023 , Edited by admin on Fri Dec 15 19:51:36 GMT 2023
PRIMARY
PUBCHEM
92805
Created by admin on Fri Dec 15 19:51:36 GMT 2023 , Edited by admin on Fri Dec 15 19:51:36 GMT 2023
PRIMARY
CHEBI
81244
Created by admin on Fri Dec 15 19:51:36 GMT 2023 , Edited by admin on Fri Dec 15 19:51:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-935-8
Created by admin on Fri Dec 15 19:51:36 GMT 2023 , Edited by admin on Fri Dec 15 19:51:36 GMT 2023
PRIMARY
CAS
547-75-1
Created by admin on Fri Dec 15 19:51:36 GMT 2023 , Edited by admin on Fri Dec 15 19:51:36 GMT 2023
PRIMARY
FDA UNII
2H5H0Q47FL
Created by admin on Fri Dec 15 19:51:36 GMT 2023 , Edited by admin on Fri Dec 15 19:51:36 GMT 2023
PRIMARY
CHEBI
133661
Created by admin on Fri Dec 15 19:51:36 GMT 2023 , Edited by admin on Fri Dec 15 19:51:36 GMT 2023
PRIMARY
Related Record Type Details
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