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

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Tyr-Ala

	Properties	Image
MNX_ID	MNXM728477
reference	sabiorkM:25534
formula	C₁₂H₁₆N₂O₄
global charge	0
mol weight	252.27
InChIKey	NLKUJNGEGZDXGO-UHFFFAOYSA-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)
SMILES	CC(N=C(O)C(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?
SMILES (mnx)	[CH3:1][CH:7]([C:12](=[O:17])[OH:18])[N:14]=[C:11]([CH: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)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:25534 sabiorkM:25534 NLKUJNGEGZDXGO-UHFFFAOYSA-N	Tyr-Ala
hmdb:HMDB0029098 NLKUJNGEGZDXGO-UHFFFAOYSA-N	Tyrosyl-Alanine 2-[2-amino-3-(4-hydroxyphenyl)propanamido]propanoic acid 2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}propanoate L-Tyrosyl-L-alanine Tyr-ala Tyrosine alanine dipeptide Tyrosine-alanine dipeptide Tyrosylalanine Y-a dipeptide YA dipeptide
hmdb:HMDB29098	secondary/obsolete/fantasy identifier