CALCIUM BINDING DDDDY-TYPE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H10NO3.4C4H6NO4.Ca.3H
Molecular Weight	751.661
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[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](CC([O-])=O)C(O)=O.N[C@@H](CC1=CC=C([O-])C=C1)C(O)=O

InChI

InChIKey=LRYGKFOTLAWURT-ALFJZUFNSA-L

InChI=1S/C9H11NO3.4C4H7NO4.Ca/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;4*5-2(4(8)9)1-3(6)7;/h1-4,8,11H,5,10H2,(H,12,13);4*2H,1,5H2,(H,6,7)(H,8,9);/q;;;;;+2/p-2/t8-;4*2-;/m00000./s1

HIDE SMILES / InChI

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

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	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	C9H10NO3
Molecular Weight	180.1806
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 14:31:28 GMT 2023` Edited by `admin` on `Sat Dec 16 14:31:28 GMT 2023`
Record UNII	O5JUE6Y4ME
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM BINDING DDDDY-TYPE

Common Name

English

Code System Code Type Description

FDA UNII

O5JUE6Y4ME

Created by admin on Sat Dec 16 14:31:28 GMT 2023 , Edited by admin on Sat Dec 16 14:31:28 GMT 2023

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PUBCHEM

138455074

Created by admin on Sat Dec 16 14:31:28 GMT 2023 , Edited by admin on Sat Dec 16 14:31:28 GMT 2023

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