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

Details

Stereochemistry RACEMIC
Molecular Formula 2C4H7O3.Ca
Molecular Weight 246.271
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calcium 3-hydroxybutyrate

SMILES

[Ca++].CC(O)CC([O-])=O.CC(O)CC([O-])=O

InChI

InChIKey=OXUQOKIBNYSTGF-UHFFFAOYSA-L
InChI=1S/2C4H8O3.Ca/c2*1-3(5)2-4(6)7;/h2*3,5H,2H2,1H3,(H,6,7);/q;;+2/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
Calcium 3-hydroxybutyrate
Preferred Name English
Code System Code Type Description
FDA UNII
D27C5A6DVR
Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025
PRIMARY
SMS_ID
300000017122
Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025
PRIMARY
CAS
586976-56-9
Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
22996905
Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025
PRIMARY
CAS
51899-07-1
Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025
PRIMARY