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

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Trp-Tyr

	Properties	Image
MNX_ID	MNXM145122
reference	chebi:74878
formula	C₂₀H₂₁N₃O₄
global charge	0
mol weight	367.405
InChIKey	TYYLDKGBCJGJGW-WMZOPIPTSA-N
InChI	InChI=1S/C20H21N3O4/c21-16(10-13-11-22-17-4-2-1-3-15(13)17)19(25)23-18(20(26)27)9-12-5-7-14(24)8-6-12/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)/t16-,18-/m0/s1
SMILES	N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C20H21N3O4/c21-16(10-13-11-22-17-4-2-1-3-15(13)17)19(25)23-18(20(26)27)9-12-5-7-14(24)8-6-12/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)/t16-,18-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:17]2[C:15](=[CH:3]1)[C:13]([CH2:10][C@@H:16]([C:19](=[N:23][C@@H:18]([CH2:9][C:12]1=[CH:6][CH:8]=[C:14]([OH:24])[CH:7]=[CH:5]1)[C:20](=[O:26])[OH:27])[OH:25])[NH2:21])=[CH:11][NH:22]2

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:74878 chebi:74878 TYYLDKGBCJGJGW-WMZOPIPTSA-N	Trp-Tyr L-Trp-L-Tyr L-tryptophyl-L-tyrosine N-L-Tryptophyl-L-tyrosine Tryptophyl-Tyrosine WY tryptophyltyrosine
hmdb:HMDB0029095 TYYLDKGBCJGJGW-UHFFFAOYSA-N	Tryptophyl-Tyrosine 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid 2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-(4-hydroxyphenyl)propanoate L-Tryptophyl-L-tyrosine TRP-Tyr Tryptophan tyrosine dipeptide Tryptophan-tyrosine dipeptide Tryptophyl-tyrosine Tryptophyltyrosine W-Y dipeptide WY dipeptide trp-tyr
hmdb:HMDB29095	secondary/obsolete/fantasy identifier