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

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Asn-Tyr

	Properties	Image
MNX_ID	MNXM119424
reference	chebi:73427
formula	C₁₃H₁₇N₃O₅
global charge	0
mol weight	295.295
InChIKey	FYRVDDJMNISIKJ-UWVGGRQHSA-N
InChI	InChI=1S/C13H17N3O5/c14-9(6-11(15)18)12(19)16-10(13(20)21)5-7-1-3-8(17)4-2-7/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)/t9-,10-/m0/s1
SMILES	NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C13H17N3O5/c14-9(6-11(15)18)12(19)16-10(13(20)21)5-7-1-3-8(17)4-2-7/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)/t9-,10-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:8]([OH:17])=[CH:4][CH:2]=[C:7]1[CH2:5][C@@H:10]([C:13](=[O:20])[OH:21])[N:16]=[C:12]([C@H:9]([CH2:6][C:11](=[NH:15])[OH:18])[NH2:14])[OH:19]

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:73427 chebi:73427 FYRVDDJMNISIKJ-UWVGGRQHSA-N	Asn-Tyr L-Asn-L-Tyr L-asparaginyl-L-tyrosine N-Y NY
hmdb:HMDB0028743 FYRVDDJMNISIKJ-UHFFFAOYSA-N	Asparaginyl-Tyrosine 2-(2-amino-3-carbamoylpropanamido)-3-(4-hydroxyphenyl)propanoic acid 2-{[2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-3-(4-hydroxyphenyl)propanoate Asn-tyr Asparagine tyrosine dipeptide Asparagine-tyrosine dipeptide Asparaginyltyrosine L-Asparaginyl-L-tyrosine N-Y dipeptide NY dipeptide
CHEBI:174803 chebi:174803 FYRVDDJMNISIKJ-UHFFFAOYSA-N	Asparaginyl-Tyrosine 2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
hmdb:HMDB28743	secondary/obsolete/fantasy identifier