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

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Asp-His

	Properties	Image
MNX_ID	MNXM119447
reference	chebi:73451
formula	C₁₀H₁₄N₄O₅
global charge	0
mol weight	270.245
InChIKey	HSPSXROIMXIJQW-BQBZGAKWSA-N
InChI	InChI=1S/C10H14N4O5/c11-6(2-8(15)16)9(17)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/t6-,7-/m0/s1
SMILES	N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C10H14N4O5/c11-6(2-8(15)16)9(17)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/t6-,7-/m0/s1
SMILES (mnx)	[CH2:1]([C:5]1=[CH:3][N:12]=[CH:4][NH:13]1)[C@@H:7]([C:10](=[O:18])[OH:19])[N:14]=[C:9]([C@H:6]([CH2:2][C:8](=[O:15])[OH:16])[NH2:11])[OH:17]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73451 chebi:73451 HSPSXROIMXIJQW-BQBZGAKWSA-N	Asp-His D-H DH L-Asp-L-His L-alpha-aspartyl-L-histidine
hmdb:HMDB0028755 HSPSXROIMXIJQW-UHFFFAOYSA-N	Aspartyl-Histidine 3-Amino-3-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]-C-hydroxycarbonimidoyl}propanoate 3-amino-3-{[1-carboxy-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propanoic acid 3-amino-3-{[1-carboxy-2-(3H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid Asp-his Aspartate histidine dipeptide Aspartate-histidine dipeptide Aspartylhistidine D-H Dipeptide DH Dipeptide L-Aspartyl-L-histidine
CHEBI:174549 chebi:174549 HSPSXROIMXIJQW-UHFFFAOYSA-N	Aspartyl-Histidine 3-amino-4-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid
hmdb:HMDB28755	secondary/obsolete/fantasy identifier