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

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Tyr-Ala

	Properties	Image
MNX_ID	MNXM728476
reference	chebi:74879
formula	C₁₂H₁₆N₂O₄
global charge	0
mol weight	252.27
InChIKey	NLKUJNGEGZDXGO-XVKPBYJWSA-N
InChI	InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
SMILES	C[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:7]([C:12](=[O:17])[OH:18])[N:14]=[C:11]([C@H:10]([CH2:6][C:8]1=[CH:3][CH:5]=[C:9]([OH:15])[CH:4]=[CH:2]1)[NH2:13])[OH:16]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74879 chebi:74879 NLKUJNGEGZDXGO-XVKPBYJWSA-N	Tyr-Ala L-Tyr-L-Ala L-tyrosyl-L-alanine Tyrosyl-Alanine YA tyrosylalanine
metacyc.compound:CPD-20389 metacycM:CPD-20389 seed.compound:cpd35084 seedM:cpd35084 NLKUJNGEGZDXGO-XVKPBYJWSA-N	L-tyrosyl-L-alanine Tyr-Ala
bigg.metabolite:tyrala biggM:tyrala vmhM:tyrala vmhmetabolite:tyrala NLKUJNGEGZDXGO-XVKPBYJWSA-N	Tyrosyl-Alanine
biggM:M_tyrala seedM:M_cpd35084 vmhM:M_tyrala	secondary/obsolete/fantasy identifier