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

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Trp-Trp

	Properties	Image
MNX_ID	MNXM145121
reference	chebi:74876
formula	C₂₂H₂₂N₄O₃
global charge	0
mol weight	390.443
InChIKey	NQIHMZLGCZNZBN-PXNSSMCTSA-N
InChI	InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)/t17-,20-/m0/s1
SMILES	N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)/t17-,20-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:18]2[C:15](=[CH:5]1)[C:13]([CH2:9][C@@H:17]([C:21](=[N:26][C@@H:20]([CH2:10][C:14]1=[CH:12][NH:25][C:19]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:16]13)[C:22](=[O:28])[OH:29])[OH:27])[NH2:23])=[CH:11][NH:24]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:74876 chebi:74876 NQIHMZLGCZNZBN-PXNSSMCTSA-N	Trp-Trp H-L-Trp-L-Trp-OH L-Trp-L-Trp L-tryptophyl-L-tryptophan N-L-Tryptophyl-L-tryptophan Tryptophyl-Tryptophan WW tryptophyltryptophan
hmdb:HMDB0029094 NQIHMZLGCZNZBN-UHFFFAOYSA-N	Tryptophyl-Tryptophan 1-Tryptophan-1-tryptophan 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid 2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-(1H-indol-3-yl)propanoate L-Tryptophyl-L-tryptophan L-tryptophyl-L-tryptophan TRP-TRP Tryptophan tryptophan dipeptide Tryptophan-tryptophan Tryptophan-tryptophan dipeptide Tryptophyl-tryptophan Tryptophyltryptophan W-W Dipeptide WW Dipeptide
hmdb:HMDB29094	secondary/obsolete/fantasy identifier