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

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aspartame

	Properties	Image
MNX_ID	MNXM42817
reference	chebi:2877
formula	C₁₄H₁₈N₂O₅
global charge	0
mol weight	294.307
InChIKey	IAOZJIPTCAWIRG-QWRGUYRKSA-N
InChI	InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
SMILES	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(=O)O

MNX internals

InChI (mnx)	InChI=1/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
SMILES (mnx)	[CH3:1][O:21][C:14]([C@H:11]([CH2:7][C:9]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[N:16]=[C:13]([C@H:10]([CH2:8][C:12](=[O:17])[OH:18])[NH2:15])[OH:19])=[O:20]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-444719 reactomeM:R-ALL-444719 reactome:R-ALL-5696361 reactomeM:R-ALL-5696361 CHEBI:2877 chebi:2877 IAOZJIPTCAWIRG-QWRGUYRKSA-N	aspartame 1-methyl N-L-alpha-aspartyl-L-phenylalanate 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester 3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid AminoSweet Asp-phe-ome Aspartame Aspartylphenylalanine methyl ester E 951 L-Aspartyl-L-phenylalanine methyl ester NutraSweet Sanecta aspartam aspartamo aspartamum methyl L-alpha-aspartyl-L-phenylalaninate
kegg.compound:C11045 keggC:C11045 IAOZJIPTCAWIRG-QWRGUYRKSA-N	Aspartame
kegg.drug:D02381 keggD:D02381 IAOZJIPTCAWIRG-QWRGUYRKSA-N	Aspartame (NF/INN)
hmdb:HMDB0001894 IAOZJIPTCAWIRG-QWRGUYRKSA-N	Aspartame (3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid 1-Methyl N-L-a-aspartyl-L-phenylalanate 1-Methyl N-L-a-aspartyl-L-phenylalanic acid 1-Methyl N-L-alpha-aspartyl-L-phenylalanate 1-Methyl N-L-alpha-aspartyl-L-phenylalanic acid 3-Amino-N-(a-carboxyphenethyl)succinamate N-methyl ester 3-Amino-N-(a-carboxyphenethyl)succinamic acid N-methyl ester 3-Amino-N-(a-methoxycarbonylphenethyl) succinamate 3-Amino-N-(a-methoxycarbonylphenethyl) succinamic acid 3-Amino-N-(alpha-carboxyphenethyl)succinamate N-methyl ester 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester 3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamate 3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid AminoSweet Asp-phe-ome Aspartam Aspartame fuca brand Aspartame hermes brand Aspartame muro brand Aspartame prodes brand Aspartamo Aspartamum Aspartylphenylalanine methyl ester Aspartylphenylalanine, methyl Canderel Dietetiques et sante brand OF aspartame Dipeptide sweetener Fuca brand OF aspartame Gold, hermesetas Goldswite Hermes brand OF aspartame Hermesetas gold L-Aspartyl-L-3-phenylalanine methyl ester L-Aspartyl-L-phenylalanine methyl ester L-Aspartyl-L-phenylalanyl methyl ester Methyl aspartylphenylalanate Methyl aspartylphenylalanine Methyl ester, aspartylphenylalanine Milisucre Muro brand OF aspartame Nozucar NutraSweet Pal sweet Palsweet diet Prodes brand OF aspartame Sanecta Sweet dipeptide Tri sweet Tri-sweet TriSweet aspartame e 951
seed.compound:cpd07930 seedM:cpd07930 IAOZJIPTCAWIRG-QWRGUYRKSA-N	Aspartame aspartame
CHEBI:195544 chebi:195544 IAOZJIPTCAWIRG-QWRGUYRKSA-N	aspartame (3S)-3-azaniumyl-4-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobutanoate aspartame zwitterion
metacyc.compound:CPD-5583 metacycM:CPD-5583 IAOZJIPTCAWIRG-QWRGUYRKSA-N	aspartame 1-methyl N-L-alpha-aspartyl-L-phenylalanate 3-amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester 3-amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid AminoSweet E 951 L-aspartyl-L-phenylalanine methyl ester NutraSweet Sanecta aspartam aspartamo aspartamum aspartylphenylalanine methyl ester methyl L-alpha-aspartyl-L-phenylalaninate
hmdb:HMDB01894 chebi:45047 keggC:M_C11045 keggD:M_D02381 seedM:M_cpd07930	secondary/obsolete/fantasy identifier