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

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N(alpha)-gamma-L-glutamylhistamine

	Properties	Image
MNX_ID	MNXM5829
reference	chebi:58631
formula	C₁₀H₁₆N₄O₃
global charge	0
mol weight	240.263
InChIKey	BGNAGOFSEBNIJN-QMMMGPOBSA-N
InChI	InChI=1S/C10H16N4O3/c11-8(10(16)17)1-2-9(15)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1
SMILES	[NH3+][C@@H](CCC(=O)NCCC1=CNC=N1)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H16N4O3/c11-8(10(16)17)1-2-9(15)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][C:9](=[N:13][CH2:4][CH2:3][C:7]1=[CH:5][N:12]=[CH:6][NH:14]1)[OH:15])[C@@H:8]([C:10](=[O:16])[OH:17])[NH2:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58631 chebi:58631 BGNAGOFSEBNIJN-QMMMGPOBSA-N	N(alpha)-gamma-L-glutamylhistamine (2S)-2-azaniumyl-5-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-oxopentanoate N(alpha)-gamma-L-glutamylhistamine zwitterion
seed.compound:cpd02554 seedM:cpd02554 BGNAGOFSEBNIJN-QMMMGPOBSA-N	N(alpha)-gamma-L-Glutamylhistamine N(alpha)-gamma-L-glutamylhistamine N-alpha-gamma-L-glutamylhistamine Nalpha-gamma-L-glutamylhistamine
kegg.compound:C04138 keggC:C04138 BGNAGOFSEBNIJN-QMMMGPOBSA-N	N(alpha)-gamma-L-Glutamylhistamine Nalpha-gamma-L-glutamylhistamine
CHEBI:30307 chebi:30307 BGNAGOFSEBNIJN-QMMMGPOBSA-N	N(alpha)-gamma-L-glutamylhistamine N(5)-[2-(1H-imidazol-4-yl)ethyl]-L-glutamine N(alpha)-(L-glutam-5-yl)histamine N(alpha)-gamma-L-Glutamylhistamine N-[2-(1H-imidazol-4-yl)ethyl]-L-glutamine Nalpha-gamma-L-glutamylhistamine
metacyc.compound:NALPHA-GAMMA-L-GLUTAMYLHISTAMINE metacycM:NALPHA-GAMMA-L-GLUTAMYLHISTAMINE BGNAGOFSEBNIJN-QMMMGPOBSA-N	Nalpha-gamma-L-glutamylhistamine
chebi:12675 chebi:21442 chebi:7350 keggC:M_C04138 seedM:M_cpd02554	secondary/obsolete/fantasy identifier