CALCIUM BINDING EEV-TYPE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C5H11NO2.2C5H8NO4.Ca
Molecular Weight	449.467
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=XFBYWUDTBLMXEF-RSGOKVIVSA-L

InChI=1S/2C5H9NO4.C5H11NO2.Ca/c2*6-3(5(9)10)1-2-4(7)8;1-3(2)4(6)5(7)8;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);3-4H,6H2,1-2H3,(H,7,8);/q;;;+2/p-2/t2*3-;4-;/m000./s1

HIDE SMILES / InChI

Molecular Formula	C5H9NO4
Molecular Weight	147.1293
Charge	0
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	C5H10NO2
Molecular Weight	116.1384
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 15:01:43 GMT 2023` Edited by `admin` on `Sat Dec 16 15:01:43 GMT 2023`
Record UNII	WNV2SNS2LA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM BINDING EEV-TYPE

Common Name

English

Code System Code Type Description

FDA UNII

WNV2SNS2LA

Created by admin on Sat Dec 16 15:01:43 GMT 2023 , Edited by admin on Sat Dec 16 15:01:43 GMT 2023

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PUBCHEM

139593540

Created by admin on Sat Dec 16 15:01:43 GMT 2023 , Edited by admin on Sat Dec 16 15:01:43 GMT 2023

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