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

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N-acetyl-L-aspartate

	Properties	Image
MNX_ID	MNXM2139
reference	chebi:16953
formula	C₆H₇NO₅
global charge	-2
mol weight	173.124
InChIKey	OTCCIMWXFLJLIA-BYPYZUCNSA-L
InChI	InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1
SMILES	CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
SMILES (mnx)	[CH3:1][C:3](=[N:7][C@@H:4]([CH2:2][C:5](=[O:9])[OH:10])[C:6](=[O:11])[OH:12])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5693772 reactomeM:R-ALL-5693772 CHEBI:16953 chebi:16953 OTCCIMWXFLJLIA-BYPYZUCNSA-L	N-acetyl-L-aspartate (2S)-2-acetamidobutanedioate (S)-2-(acetylamino)succinate N-Acetyl-L-aspartate N-acetyl-L-aspartate(2-)
bigg.metabolite:Nacasp biggM:Nacasp sabiork.compound:2224 sabiorkM:2224 OTCCIMWXFLJLIA-BYPYZUCNSA-L	N-Acetyl-L-aspartate
kegg.compound:C01042 keggC:C01042 OTCCIMWXFLJLIA-BYPYZUCNSA-N	N-Acetyl-L-aspartate N-Acetyl-L-aspartic acid
seed.compound:cpd00767 seedM:cpd00767 OTCCIMWXFLJLIA-BYPYZUCNSA-L	N-Acetyl-L-aspartate N-Acetyl-L-aspartic acid N-acetyl-L-aspartate N-acetyl-L-aspartic acid N-acetyl-alpha-L-aspartate
hmdb:HMDB0000812 OTCCIMWXFLJLIA-BYPYZUCNSA-N	N-Acetyl-L-aspartic acid (2S)-2-Acetamidobutanedioate (2S)-2-Acetamidobutanedioic acid (2S)-2-acetamidobutanedioic acid (S)-2-(Acetylamino)butanedioate (S)-2-(Acetylamino)butanedioic acid (S)-2-(Acetylamino)succinate (S)-2-(Acetylamino)succinic acid Acetyl aspartic acid Acetyl-L-aspartate Acetyl-L-aspartic acid Acetylaspartate Acetylaspartic acid L-N-Acetylaspartate L-N-Acetylaspartic acid N-Acetyl aspartate N-Acetyl-L-aspartate N-Acetyl-S-aspartate N-Acetyl-S-aspartic acid N-Acetylaspartate N-Acetylaspartate, monopotassium salt N-Acetylaspartic acid NAA acetyl-L-aspartic acid
vmhM:Nacasp vmhmetabolite:Nacasp OTCCIMWXFLJLIA-BYPYZUCNSA-L	N-acetyl-L-aspartate(2-) (2S)-2-acetamidobutanedioic acid
metacyc.compound:CPD-420 metacycM:CPD-420 OTCCIMWXFLJLIA-BYPYZUCNSA-L	N-acetyl-L-aspartate N-acetyl-L-aspartic acid N-acetyl-alpha-L-aspartate acetyl-L-aspartic acid
CHEBI:176586 chebi:176586 OTCCIMWXFLJLIA-BYPYZUCNSA-N	N-acetyl-L-aspartic acid-1,2,3,4-(13)C4 (2S)-2-acetamido((13)C4)butanedioic acid N-acetyl-L-((13)C4)aspartic acid N-acetyl-L-aspartic acid-1,2,3,4-[(13)C4]
reactome:R-ALL-5691492 reactomeM:R-ALL-5691492 reactome:R-ALL-8954466 reactomeM:R-ALL-8954466 CHEBI:21547 chebi:21547 OTCCIMWXFLJLIA-BYPYZUCNSA-N	N-acetyl-L-aspartic acid (2S)-2-acetamidobutanedioic acid (S)-2-(acetylamino)butanedioic acid (S)-2-(acetylamino)succinic acid L-N-acetylaspartic acid N-acetylaspartic acid NAA acetyl-L-aspartic acid acetylaspartic acid
hmdb:HMDB00812 chebi:12574 chebi:21546 chebi:7149 chebi:87271 biggM:M_Nacasp keggC:M_C01042 seedM:M_cpd00767 vmhM:M_Nacasp	secondary/obsolete/fantasy identifier