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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C4H5NO4.2C3H6NO2S.Fe.2H
Molecular Weight 560.335
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge -2

SHOW SMILES / InChI
Structure of FERROUS CYSTEINE ASPARTATE

SMILES

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

InChI

InChIKey=RACKTDPDSGSFJJ-YGYANBGASA-J
InChI=1S/2C4H7NO4.2C3H7NO2S.Fe/c2*5-2(4(8)9)1-3(6)7;2*4-2(1-7)3(5)6;/h2*2H,1,5H2,(H,6,7)(H,8,9);2*2,7H,1,4H2,(H,5,6);/q;;;;+2/p-4/t4*2-;/m0000./s1

HIDE SMILES / InChI

Molecular Formula Fe
Molecular Weight 55.845
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H7NO4
Molecular Weight 133.1027
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C3H6NO2S
Molecular Weight 120.15
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:09:28 GMT 2025
Edited
by admin
on Mon Mar 31 22:09:28 GMT 2025
Record UNII
M450PPB891
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FERROUS CYSTEINE ASPARTATE CHELATE (1:2:2)
Preferred Name English
FERROUS CYSTEINE ASPARTATE
Common Name English
Code System Code Type Description
FDA UNII
M450PPB891
Created by admin on Mon Mar 31 22:09:28 GMT 2025 , Edited by admin on Mon Mar 31 22:09:28 GMT 2025
PRIMARY
PUBCHEM
76967544
Created by admin on Mon Mar 31 22:09:28 GMT 2025 , Edited by admin on Mon Mar 31 22:09:28 GMT 2025
PRIMARY