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

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3-indoleglyoxylic acid

	Properties	Image
MNX_ID	MNXM11880
reference	chebi:233874
formula	C₁₀H₇NO₃
global charge	0
mol weight	189.17
InChIKey	DWLVFWDCSFTDOD-UHFFFAOYSA-N
InChI	InChI=1S/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)
SMILES	O=C(O)C(=O)C1=CNC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:6](=[CH:3]1)[C:7]([C:9]([C:10]([OH:13])=[O:14])=[O:12])=[CH:5][NH:11]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:233874 chebi:233874 DWLVFWDCSFTDOD-UHFFFAOYSA-N	3-indoleglyoxylic acid 2-(1H-indol-3-yl)-2-oxoacetic acid
metacyc.compound:INDOLE-3-GLYOXYLATE metacycM:INDOLE-3-GLYOXYLATE DWLVFWDCSFTDOD-UHFFFAOYSA-M	2-(indol-3-yl)-2-oxoacetate 2-(1H-indol-3-yl)-2-oxoacetate indole-3-glyoxylate
hmdb:HMDB0242143 DWLVFWDCSFTDOD-UHFFFAOYSA-N	3-Indoleglyoxylic acid 1H-indol-3-yl(oxo)acetic acid 2-(1H-indol-3-yl)-2-oxoacetic acid 3-Indoleglyoxylate Indole-3-glyoxylic acid
sabiork.compound:20027 sabiorkM:20027 DWLVFWDCSFTDOD-UHFFFAOYSA-N	Indoleglyoxylate 1H-Indol-3-yl(oxo)acetic acid 2-(1H-indol-3-yl)-2-oxo-acetic acid 3-Indoleglyoxylic acid 3-Indolylglyoxylic acid Indole-3-glyoxylic acid
seed.compound:cpd27284 seedM:cpd27284 DWLVFWDCSFTDOD-UHFFFAOYSA-M	indole-3-glyoxylate
seedM:M_cpd27284	secondary/obsolete/fantasy identifier