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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C5H10NO2.Ca
Molecular Weight 272.355
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALINE CALCIUM

SMILES

[Ca++].CC(C)[C@H](N)C([O-])=O.CC(C)[C@H](N)C([O-])=O

InChI

InChIKey=CBDAYPGLRPBHCT-SCGRZTRASA-L
InChI=1S/2C5H11NO2.Ca/c2*1-3(2)4(6)5(7)8;/h2*3-4H,6H2,1-2H3,(H,7,8);/q;;+2/p-2/t2*4-;/m00./s1

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H10NO2
Molecular Weight 116.1384
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:07:09 GMT 2023
Edited
by admin
on Sat Dec 16 18:07:09 GMT 2023
Record UNII
L2K2Z5BTR8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALINE CALCIUM
Common Name English
Valine calcium [WHO-DD]
Common Name English
L-VALINE, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
102438213
Created by admin on Sat Dec 16 18:07:10 GMT 2023 , Edited by admin on Sat Dec 16 18:07:10 GMT 2023
PRIMARY
FDA UNII
L2K2Z5BTR8
Created by admin on Sat Dec 16 18:07:10 GMT 2023 , Edited by admin on Sat Dec 16 18:07:10 GMT 2023
PRIMARY
CAS
71247-42-2
Created by admin on Sat Dec 16 18:07:10 GMT 2023 , Edited by admin on Sat Dec 16 18:07:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID90991554
Created by admin on Sat Dec 16 18:07:10 GMT 2023 , Edited by admin on Sat Dec 16 18:07:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE