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

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Trp-Asn

	Properties	Image
MNX_ID	MNXM145104
reference	chebi:141447
formula	C₁₅H₁₈N₄O₄
global charge	0
mol weight	318.333
InChIKey	GRQCSEWEPIHLBI-JQWIXIFHSA-N
InChI	InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)/t10-,12-/m0/s1
SMILES	NC(=O)C[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)/t10-,12-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:11]2[C:9](=[CH:3]1)[C:8]([CH2:5][C@@H:10]([C:14](=[N:19][C@@H:12]([CH2:6][C:13](=[NH:17])[OH:20])[C:15](=[O:22])[OH:23])[OH:21])[NH2:16])=[CH:7][NH:18]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:141447 chebi:141447 GRQCSEWEPIHLBI-JQWIXIFHSA-N	Trp-Asn (2S)-4-amino-2-{[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino}-4-oxobutanoic acid L-tryptophyl-L-asparagine W-N W-N dipeptide WN WN dipeptide tryptophan asparagine dipeptide tryptophylasparagine
hmdb:HMDB0029078 GRQCSEWEPIHLBI-UHFFFAOYSA-N	Tryptophyl-Asparagine 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid 2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoate L-Tryptophyl-L-asparagine TRP-Asn Tryptophan asparagine dipeptide Tryptophan-asparagine dipeptide Tryptophylasparagine W-N Dipeptide WN Dipeptide
CHEBI:175077 chebi:175077 GRQCSEWEPIHLBI-UHFFFAOYSA-N	Tryptophyl-Asparagine 4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
hmdb:HMDB29078	secondary/obsolete/fantasy identifier