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

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N-acetyl-L-tryptophan

MNXM738516 is deprecated and here replaced by MNXM1105825
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1105825
reference	chebi:143877
formula	C₁₃H₁₃N₂O₃
global charge	-1
mol weight	245.258
InChIKey	DZTHIGRZJZPRDV-LBPRGKRZSA-M
InChI	InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1
SMILES	CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
SMILES (mnx)	[CH3:1][C:8](=[N:15][C@@H:12]([CH2:6][C:9]1=[CH:7][NH:14][C:11]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:10]12)[C:13](=[O:17])[OH:18])[OH:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:143877 chebi:143877 DZTHIGRZJZPRDV-LBPRGKRZSA-M	N-acetyl-L-tryptophan (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate N-acetyl-L-tryptophanate
sabiork.compound:21291 sabiorkM:21291 DZTHIGRZJZPRDV-LBPRGKRZSA-N	N-Acetyl-L-tryptophan
hmdb:HMDB0013713 DZTHIGRZJZPRDV-LBPRGKRZSA-N	N-Acetyltryptophan (2S)-2-Acetamido-3-(1H-indol-3-yl)propanoic acid (2S)-2-Acetamido-3-(1H-indol-3-yl)propionic acid (2S)-2-[(1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propanoic acid (S)-N-Acetyltryptophan Ac-Trp Acetyl-L-Trp Acetyl-L-tryptophan Acetyltryptophan L-N-Acetyltryptophan N-Acetyl-L-tryptophan NAT Tryptophan, acetyl
metacyc.compound:N-ACETYL-TRYPTOPHAN metacycM:N-ACETYL-TRYPTOPHAN seed.compound:cpd27567 seedM:cpd27567 CHEBI:74640 chebi:74640 DZTHIGRZJZPRDV-LBPRGKRZSA-M DZTHIGRZJZPRDV-LBPRGKRZSA-N	N-acetyl-L-tryptophan
hmdb:HMDB13713 seedM:M_cpd27567	secondary/obsolete/fantasy identifier