NOPALINE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H20N4O6
Molecular Weight	304.2997
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NOPALINE

Structure Search

SMILES

NC(=N)NCCC[C@H](N[C@H](CCC(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=LMKYZBGVKHTLTN-NKWVEPMBSA-N

InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C11H20N4O6
Molecular Weight	304.2997
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:32:33 GMT 2025` Edited by `admin` on `Mon Mar 31 23:32:33 GMT 2025`
Record UNII	QJ8EP5F7X8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NOPALINE

Systematic Name

English

(2R)-2-{[(1S)-1-carboxy-4-[(diaminomethylidene)amino]butyl]amino}pentanedioic acid

Preferred Name

English

D-Glutamic acid, N-[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]-

Systematic Name

English

D-Glutamic acid, N-[4-[(aminoiminomethyl)amino]-1-carboxybutyl]-, (S)-

Systematic Name

English

N-[(1S)-4-[(Aminoiminomethyl)amino]-1-carboxybutyl]-D-glutamic acid

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Nopaline

Created by admin on Mon Mar 31 23:32:33 GMT 2025 , Edited by admin on Mon Mar 31 23:32:33 GMT 2025

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PUBCHEM

108012

Created by admin on Mon Mar 31 23:32:33 GMT 2025 , Edited by admin on Mon Mar 31 23:32:33 GMT 2025

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SMS_ID

300000027451

Created by admin on Mon Mar 31 23:32:33 GMT 2025 , Edited by admin on Mon Mar 31 23:32:33 GMT 2025

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FDA UNII

QJ8EP5F7X8

Created by admin on Mon Mar 31 23:32:33 GMT 2025 , Edited by admin on Mon Mar 31 23:32:33 GMT 2025

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EPA CompTox

DTXSID20945005

Created by admin on Mon Mar 31 23:32:33 GMT 2025 , Edited by admin on Mon Mar 31 23:32:33 GMT 2025

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CAS

22350-70-5

Created by admin on Mon Mar 31 23:32:33 GMT 2025 , Edited by admin on Mon Mar 31 23:32:33 GMT 2025

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CHEBI

17249

Created by admin on Mon Mar 31 23:32:33 GMT 2025 , Edited by admin on Mon Mar 31 23:32:33 GMT 2025

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