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

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indole-3-pyruvate

	Properties	Image
MNX_ID	MNXM315
reference	chebi:17640
formula	C₁₁H₈NO₃
global charge	-1
mol weight	202.189
InChIKey	RSTKLPZEZYGQPY-UHFFFAOYSA-M
InChI	InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)/p-1
SMILES	O=C([O-])C(=O)CC1=CNC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]2[C:8](=[CH:3]1)[C:7]([CH2:5][C:10]([C:11]([OH:14])=[O:15])=[O:13])=[CH:6][NH:12]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	39
in models (compartimentalized)	18

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17640 chebi:17640 RSTKLPZEZYGQPY-UHFFFAOYSA-M	indole-3-pyruvate 3-(1H-indol-3-yl)-2-oxopropanoate 3-(indol-3-yl)pyruvate
metacyc.compound:INDOLE_PYRUVATE metacycM:INDOLE_PYRUVATE RSTKLPZEZYGQPY-UHFFFAOYSA-M	(indol-3-yl)pyruvate 3-(indol-3-yl)pyruvate 3-indole-2-oxopropanoate IPA indole-3-pyruvate indole-3-pyruvic acid indole-pyr indolepyruvate indolepyruvic acid
reactome:R-ALL-893599 reactomeM:R-ALL-893599 CHEBI:29750 chebi:29750 RSTKLPZEZYGQPY-UHFFFAOYSA-N	3-(indol-3-yl)pyruvic acid 3-(1H-indol-3-yl)-2-oxopropanoic acid Indolepyruvic acid indole-3-pyruvic acid
bigg.metabolite:indpyr biggM:indpyr	Indolepyruvate
seed.compound:cpd00278 seedM:cpd00278 RSTKLPZEZYGQPY-UHFFFAOYSA-M	Indolepyruvate (Indol-3-yl)pyruvate (indol-3-yl)pyruvate 3-(Indol-3-yl)pyruvate 3-(indol-3-yl)pyruvate 3-indole-2-oxopropanoate IPA Indole-3-pyruvate Indolepyruvic acid indol-3-pyruvate indole-3-pyruvate indole-pyr indolepyruvate indolepyruvic acid indpyr
sabiork.compound:5047 sabiorkM:5047 kegg.compound:C00331 keggC:C00331 RSTKLPZEZYGQPY-UHFFFAOYSA-M RSTKLPZEZYGQPY-UHFFFAOYSA-N	Indolepyruvate (Indol-3-yl)pyruvate 3-(Indol-3-yl)pyruvate Indole-3-pyruvate Indolepyruvic acid
hmdb:HMDB0060484 RSTKLPZEZYGQPY-UHFFFAOYSA-N	Indolepyruvate (indol-3-yl)Pyruvate (indol-3-yl)Pyruvic acid 1H-Indole-3-pyruvic acid 3-(1H-Indol-3-yl)-2-oxopropanoic acid 3-(1H-Indol-3-yl)-2-oxopropionic acid 3-(1H-indol-3-yl)-2-oxopropanoic acid 3-(3-Indolyl)-2-oxopropanoic acid 3-(3-Indolyl)-2-oxopropionic acid 3-(3-Indolyl)pyruvic acid 3-(indol-3-yl)Pyruvate 3-(indol-3-yl)Pyruvic acid 3-(indol-3-yl)pyruvic acid 3-Indole-2-oxopropanoate 3-Indole-2-oxopropionate 3-Indolylpyroracemic acid 3-Indolylpyruvic acid IPA Indol-3-yl pyruvic acid Indole-3-pyruvate Indole-3-pyruvic acid Indolepyruvic acid Indolyl-3-pyruvate alpha-Oxo-1H-indole-3-propanoic acid alpha-Oxo-1H-indole-3-propionic acid beta-Indolepyruvic acid beta-Indolylpyruvic acid
vmhM:indpyr vmhmetabolite:indpyr RSTKLPZEZYGQPY-UHFFFAOYSA-M	Indolepyruvate 3-(1H-indol-3-yl)-2-oxopropanoic acid
envipath:...d6b0388a8a9d envipathM:...d6b0388a8a9d RSTKLPZEZYGQPY-UHFFFAOYSA-M	compound 0046646
hmdb:HMDB60484 chebi:11113 chebi:11738 chebi:14454 chebi:24816 chebi:24817 chebi:39967 chebi:5917 biggM:M_indpyr keggC:M_C00331 seedM:M_cpd00278 vmhM:M_indpyr	secondary/obsolete/fantasy identifier