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

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Ala-His

	Properties	Image
MNX_ID	MNXM1368629
reference	sabiorkM:25537
formula	C₉H₁₄N₄O₃
global charge	0
mol weight	226.236
InChIKey	XZWXFWBHYRFLEF-UHFFFAOYSA-N
InChI	InChI=1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
SMILES	CC(N)C(O)=NC(CC1=CN=CN1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5?,7?
SMILES (mnx)	[CH3:1][CH:5]([C:8](=[N:13][CH:7]([CH2:2][C:6]1=[CH:3][N:11]=[CH:4][NH:12]1)[C:9](=[O:15])[OH:16])[OH:14])[NH2:10]

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
sabiork.compound:25537 sabiorkM:25537 XZWXFWBHYRFLEF-UHFFFAOYSA-N	Ala-His
hmdb:HMDB0304775 XZWXFWBHYRFLEF-UHFFFAOYSA-N	Alanyl-Histidine 2-[(2-amino-1-hydroxypropylidene)amino]-3-(1H-imidazol-5-yl)propanoic acid 2-[(2-amino-1-hydroxypropylidene)amino]-3-(3H-imidazol-4-yl)propanoic acid AH dipeptide Ala-his Alanine histidine dipeptide Alanine-histidine dipeptide Alanylhistidine Alanylhistidine, (D-his-L-ala)-isomer L-Alanyl-L-histidine a-H Dipeptide