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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H8NO4.3C4H6NO4.Ca.2H
Molecular Weight 584.499
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BINDING DDDE-TYPE

SMILES

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

InChI

InChIKey=WUNNUUDWAAUXIF-KJSIITFJSA-L
InChI=1S/C5H9NO4.3C4H7NO4.Ca/c6-3(5(9)10)1-2-4(7)8;3*5-2(4(8)9)1-3(6)7;/h3H,1-2,6H2,(H,7,8)(H,9,10);3*2H,1,5H2,(H,6,7)(H,8,9);/q;;;;+2/p-2/t3-;3*2-;/m0000./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CALCIUM BINDING DDDE-TYPE
Preferred Name English
Code System Code Type Description
FDA UNII
SO41Z3TH74
Created by admin on Wed Apr 02 00:42:35 GMT 2025 , Edited by admin on Wed Apr 02 00:42:35 GMT 2025
PRIMARY
PUBCHEM
139593454
Created by admin on Wed Apr 02 00:42:35 GMT 2025 , Edited by admin on Wed Apr 02 00:42:35 GMT 2025
PRIMARY