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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C6H12NO2.Ca
Molecular Weight 300.408
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEUCINE CALCIUM

SMILES

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

InChI

InChIKey=PHKLZDRZEQKKHO-MDTVQASCSA-L
InChI=1S/2C6H13NO2.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4-5H,3,7H2,1-2H3,(H,8,9);/q;;+2/p-2/t2*5-;/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 C6H12NO2
Molecular Weight 130.165
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 11:57:05 GMT 2023
Edited
by admin
on Sat Dec 16 11:57:05 GMT 2023
Record UNII
GR3G7F5CB4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEUCINE CALCIUM
Common Name English
Leucine calcium [WHO-DD]
Common Name English
Code System Code Type Description
CAS
71720-29-1
Created by admin on Sat Dec 16 11:57:05 GMT 2023 , Edited by admin on Sat Dec 16 11:57:05 GMT 2023
PRIMARY
FDA UNII
GR3G7F5CB4
Created by admin on Sat Dec 16 11:57:05 GMT 2023 , Edited by admin on Sat Dec 16 11:57:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
275-876-2
Created by admin on Sat Dec 16 11:57:05 GMT 2023 , Edited by admin on Sat Dec 16 11:57:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID00221935
Created by admin on Sat Dec 16 11:57:05 GMT 2023 , Edited by admin on Sat Dec 16 11:57:05 GMT 2023
PRIMARY
PUBCHEM
44146229
Created by admin on Sat Dec 16 11:57:05 GMT 2023 , Edited by admin on Sat Dec 16 11:57:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE