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

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N-(indole-3-acetyl)glutamate(2-)

MNXM11873 is deprecated and here replaced by MNXM1371028
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371028
reference	chebi:133516
formula	C₁₅H₁₄N₂O₅
global charge	-2
mol weight	302.286
InChIKey	YRKLGWOHYXIKSF-UHFFFAOYSA-L
InChI	InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)/p-2
SMILES	O=C([O-])CCC(NC(=O)CC1=CNC2=CC=CC=C12)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)/t12?
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:11]2[C:10](=[CH:3]1)[C:9]([CH2:7][C:13](=[N:17][CH:12]([CH2:5][CH2:6][C:14](=[O:19])[OH:20])[C:15](=[O:21])[OH:22])[OH:18])=[CH:8][NH:16]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:133516 chebi:133516 YRKLGWOHYXIKSF-UHFFFAOYSA-L	N-(indole-3-acetyl)glutamate(2-) 2-[2-(1H-indol-3-yl)acetamido]pentanedioate N-(indol-3-ylacetyl)glutamate(2-) indole-3-acetyl-glutamate indole-3-acetyl-glutamate(2-)
CHEBI:136547 chebi:136547 YRKLGWOHYXIKSF-UHFFFAOYSA-N	N-(indole-3-acetyl)glutamic acid (indole-3-acetyl)glutamic acid N-(indol-3-ylacetyl)glutamic acid
hmdb:HMDB0304379 YRKLGWOHYXIKSF-UHFFFAOYSA-L	indole-3-acetyl-glutamate 2-[2-(1H-indol-3-yl)acetamido]pentanedioate IAA-glu Indole-3-acetyl-glu Indole-3-acetyl-glutamate Indole-3-acetyl-glutamate(2-) Indole-3-acetyl-glutamic acid Indole-3-acetyl-glutamic acid(2-) N-(Indole-3-acetyl)glutamic acid(2-) N-(indol-3-Ylacetyl)glutamate(2-) N-(indol-3-Ylacetyl)glutamic acid(2-)