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

Details

Stereochemistry RACEMIC
Molecular Formula 2C4H5NO4.Mn.2H.4H2O
Molecular Weight 391.1886
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MANGANESE HYDROGEN DL-ASPARTATE TETRAHYDRATE

SMILES

[H+].[H+].O.O.O.O.[Mn++].NC(CC([O-])=O)C([O-])=O.NC(CC([O-])=O)C([O-])=O

InChI

InChIKey=MRUXPWMEGDWNKB-UHFFFAOYSA-L
InChI=1S/2C4H7NO4.Mn.4H2O/c2*5-2(4(8)9)1-3(6)7;;;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;4*1H2/q;;+2;;;;/p-2

HIDE SMILES / InChI

Molecular Formula C4H7NO4
Molecular Weight 133.1027
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Mn
Molecular Weight 54.938045
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:49:12 GMT 2025
Edited
by admin
on Wed Apr 02 05:49:12 GMT 2025
Record UNII
WN2FEP96P7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MANGANESE HYDROGEN DL-ASPARTATE TETRAHYDRATE
Preferred Name English
Code System Code Type Description
PUBCHEM
154824277
Created by admin on Wed Apr 02 05:49:12 GMT 2025 , Edited by admin on Wed Apr 02 05:49:12 GMT 2025
PRIMARY
SMS_ID
100000143429
Created by admin on Wed Apr 02 05:49:12 GMT 2025 , Edited by admin on Wed Apr 02 05:49:12 GMT 2025
PRIMARY
FDA UNII
WN2FEP96P7
Created by admin on Wed Apr 02 05:49:12 GMT 2025 , Edited by admin on Wed Apr 02 05:49:12 GMT 2025
PRIMARY
CAS
116155-37-4
Created by admin on Wed Apr 02 05:49:12 GMT 2025 , Edited by admin on Wed Apr 02 05:49:12 GMT 2025
PRIMARY