CALCIUM BINDING DDDE-TYPE

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 Search

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

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H8NO4
Molecular Weight	146.1213
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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	C4H6NO4
Molecular Weight	132.0947
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 14:41:45 GMT 2023` Edited by `admin` on `Sat Dec 16 14:41:45 GMT 2023`
Record UNII	SO41Z3TH74
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM BINDING DDDE-TYPE

Common Name

English

Code System Code Type Description

FDA UNII

SO41Z3TH74

Created by admin on Sat Dec 16 14:41:45 GMT 2023 , Edited by admin on Sat Dec 16 14:41:45 GMT 2023

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PUBCHEM

139593454

Created by admin on Sat Dec 16 14:41:45 GMT 2023 , Edited by admin on Sat Dec 16 14:41:45 GMT 2023

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