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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H10N2O3.2C4H6NO4.C2H5NO2.Ca
Molecular Weight 525.479
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BINDING DDGQ-TYPE

SMILES

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

InChI

InChIKey=SQTBJSXNVUYXSW-HXSZRPLLSA-L
InChI=1S/C5H10N2O3.2C4H7NO4.C2H5NO2.Ca/c6-3(5(9)10)1-2-4(7)8;2*5-2(4(8)9)1-3(6)7;3-1-2(4)5;/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*2H,1,5H2,(H,6,7)(H,8,9);1,3H2,(H,4,5);/q;;;;+2/p-2/t3-;2*2-;;/m000../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CALCIUM BINDING DDGQ-TYPE
Preferred Name English
Code System Code Type Description
FDA UNII
XV1PRF3VJ5
Created by admin on Wed Apr 02 01:11:57 GMT 2025 , Edited by admin on Wed Apr 02 01:11:57 GMT 2025
PRIMARY
PUBCHEM
145721927
Created by admin on Wed Apr 02 01:11:57 GMT 2025 , Edited by admin on Wed Apr 02 01:11:57 GMT 2025
PRIMARY