MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

D-nopaline

	Properties	Image
MNX_ID	MNXM3248
reference	chebi:58074
formula	C₁₁H₁₉N₄O₆
global charge	-1
mol weight	303.295
InChIKey	LMKYZBGVKHTLTN-NKWVEPMBSA-M
InChI	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)/p-1/t6-,7+/m0/s1
SMILES	NC(=[NH2+])NCCC[C@H]([NH2+][C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH2:1]([CH2:2][C@@H:6]([C:9](=[O:18])[OH:19])[NH:15][C@H:7]([CH2:3][CH2:4][C:8](=[O:16])[OH:17])[C:10](=[O:20])[OH:21])[CH2:5][NH:14][C:11](=[NH:12])[NH2:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58074 chebi:58074 LMKYZBGVKHTLTN-NKWVEPMBSA-M	D-nopaline (2R)-2-{[(1S)-4-{[amino(iminio)methyl]amino}-1-carboxylatobutyl]azaniumyl}pentanedioate D-nopalinate D-nopalinate anion D-nopalinate(1-)
bigg.metabolite:nop biggM:nop	D-Nopaline
seed.compound:cpd01162 seedM:cpd01162 LMKYZBGVKHTLTN-NKWVEPMBSA-M	D-Nopaline D-nopaline N-[(1S)-4-Carbamimidamido-1-carboxybutyl]-D-glutamic acid N-[4-[(Aminoiminomethyl)amino]-1-carboxybutyl]-D-glutamic acid(ECL) N2-(D-1,3-Dicarboxypropyl)-L-arginine N2-(D-1,3-dicarboxypropyl)-L-arginine Nopaline nop
CHEBI:17249 chebi:17249 LMKYZBGVKHTLTN-NKWVEPMBSA-N	D-nopaline (2R)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]amino}pentanedioic acid (S)-N-(4-((Aminoiminomethyl)amino)-1-carboxybutyl)-D-glutamic acid D-Nopaline N(2)-(D-1,3-dicarboxypropyl)-L-arginine N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid N-[4-[(Aminoiminomethyl)amino]-1-carboxybutyl]-D-glutamic acid(ECL) N2-(D-1,3-Dicarboxypropyl)-L-arginine Nopaline
metacyc.compound:CPD-308 metacycM:CPD-308 LMKYZBGVKHTLTN-NKWVEPMBSA-M	D-nopaline N2-(D-1,3-dicarboxypropyl)-L-arginine
seed.compound:cpd05415 seedM:cpd05415	Nopaline
kegg.compound:C01682 keggC:C01682 LMKYZBGVKHTLTN-NKWVEPMBSA-N	Nopaline D-Nopaline N-[(1S)-4-Carbamimidamido-1-carboxybutyl]-D-glutamic acid N2-(D-1,3-Dicarboxypropyl)-L-arginine
chebi:12630 chebi:21809 chebi:4216 chebi:7365 chebi:7620 biggM:M_nop keggC:M_C01682 seedM:M_cpd01162 seedM:M_cpd05415	secondary/obsolete/fantasy identifier