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L-dopaquinone

Properties

Image

Occurences in reactions

MNX_ID

MNXM729106

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	16

formula

C₉H₉NO₄

charge

mass

195.05316

reference

InChIKey

AHMIDUVKSGCHAU-LURJTMIESA-N

InChI

InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1

SMILES

[NH3+][C@@H](CC1=CC(=O)C(=O)C=C1)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57924 chebi:57924	L-dopaquinone (2S)-2-ammonio-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate (2S)-2-azaniumyl-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate L-dopaquinone zwitterion
sabiork.compound:5253 sabiorkM:5253 kegg.compound:C00822 keggC:C00822	Dopaquinone
hmdb:HMDB0001229	Dopaquinone (2S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid (S)-2-Amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate (S)-2-Amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid 4-(2-Carboxy-2-aminoethyl)-1,2-benzoquinone Dopaquinone, (S)-isomer L-Dopaquinone O-Dopaquinone dopaquinone
seed.compound:cpd00612 seedM:cpd00612	Dopaquinone dopaquinone
sabiork.compound:22731 sabiorkM:22731	L-Dopaquinone
hmdb:HMDB0039119	L-Dopaquinone 2-Amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate 2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid 4-(2-Carboxy-2-aminoethyl)-1,2-benzoquinone Dopa O-quinone Dopaquinone Dopaquinone, (S)-isomer O-Dopaquinone
bigg.metabolite:dopaqn biggM:dopaqn	L-dopaquinone
reactome:R-ALL-5662695 reactomeM:R-ALL-5662695 CHEBI:16852 chebi:16852	L-dopaquinone (S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate 3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-L-alanine DOPAquinone Dopaquinone
metacyc.compound:DOPAQUINONE metacycM:DOPAQUINONE	dopaquinone
hmdb:HMDB01229 hmdb:HMDB39119 chebi:14204 chebi:23887 chebi:4699 biggM:M_dopaqn keggC:M_C00822 seedM:M_cpd00612	secondary/obsolete/fantasy identifier