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

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 Sat Dec 16 10:57:54 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:54 GMT 2023
Record UNII
QJ8EP5F7X8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NOPALINE
Systematic 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
(2R)-2-{[(1S)-1-carboxy-4-[(diaminomethylidene)amino]butyl]amino}pentanedioic acid
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Nopaline
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
PUBCHEM
108012
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
FDA UNII
QJ8EP5F7X8
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID20945005
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
CAS
22350-70-5
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY
CHEBI
17249
Created by admin on Sat Dec 16 10:57:54 GMT 2023 , Edited by admin on Sat Dec 16 10:57:54 GMT 2023
PRIMARY