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

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anserine

	Properties	Image
MNX_ID	MNXM2639
reference	chebi:58445
formula	C₁₀H₁₆N₄O₃
global charge	0
mol weight	240.263
InChIKey	MYYIAHXIVFADCU-QMMMGPOBSA-N
InChI	InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
SMILES	CN1C=NC=C1C[C@H](NC(=O)CC[NH3+])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
SMILES (mnx)	[CH3:1][N:14]1[CH:6]=[N:12][CH:5]=[C:7]1[CH2:4][C@@H:8]([C:10](=[O:16])[OH:17])[N:13]=[C:9]([CH2:2][CH2:3][NH2:11])[OH:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-8876775 reactomeM:R-ALL-8876775 CHEBI:58445 chebi:58445 MYYIAHXIVFADCU-QMMMGPOBSA-N	anserine (2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate anserine zwitterion
bigg.metabolite:ans biggM:ans	Anserine
vmhM:ansrn vmhmetabolite:ansrn MYYIAHXIVFADCU-QMMMGPOBSA-N	Anserine (2S)-2-(3-aminopropanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
hmdb:HMDB0000194 MYYIAHXIVFADCU-QMMMGPOBSA-N	Anserine (2S)-2-(3-aminopropanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid Balanine Beta Alanyl 3 methylhistidine Beta-Alanyl-3-methylhistidine L-Anserine L-N-b-Alanyl-3-methyl-histidine L-N-beta-Alanyl-3-methyl-histidine N-b-Alanyl-3-methyl-L-histidine N-beta-Alanyl-3-methyl-L-histidine Ophidine anserine b-Alanyl-3-methyl-L-histidine b-Alanyl-N(pai)-methyl-L-histidine beta-Alanyl-3-methyl-L-histidine beta-Alanyl-N(pai)-methyl-L-histidine beta-alanyl-3-methyl-L-histidine beta-alanyl-N(pai)-methyl-L-histidine
seed.compound:cpd00926 seedM:cpd00926 MYYIAHXIVFADCU-QMMMGPOBSA-N	Anserine anserine beta-Alanyl-N(pi)-methyl-L-histidine beta-alanyl-Npi-methyl-L-histidine
CHEBI:18323 chebi:18323 MYYIAHXIVFADCU-QMMMGPOBSA-N	anserine Anserine N(alpha)-(beta-alanyl)-N(pros)-methylhistidine beta-Alanyl-N(pai)-methyl-L-histidine beta-alanyl-3-methyl-L-histidine
metacyc.compound:CPD-401 metacycM:CPD-401 MYYIAHXIVFADCU-QMMMGPOBSA-N	anserine beta-alanyl-Npi-methyl-L-histidine
sabiork.compound:5482 sabiorkM:5482 MYYIAHXIVFADCU-QMMMGPOBSA-N	beta-Alanyl-N(pai)-methyl-L-histidine Anserine
kegg.compound:C01262 keggC:C01262 MYYIAHXIVFADCU-QMMMGPOBSA-N	beta-Alanyl-N(pi)-methyl-L-histidine Anserine
hmdb:HMDB00194 chebi:10349 chebi:13836 chebi:22828 biggM:M_ans keggC:M_C01262 seedM:M_cpd00926 vmhM:M_ansrn	secondary/obsolete/fantasy identifier