Indolepyruvate
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Formula: C11H9NO3
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Molecular weight: 203.19
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Smiles: C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O
Indolepyruvate
Names
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Mycotoxin name: Indolepyruvate
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First synonym: Indole-3-pyruvic acid
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Synonyms: Indole-3-pyruvic acid,392-12-1,3-(1H-Indol-3-yl)-2-oxopropanoic acid,Indole-3-pyruvate,3-Indolylpyruvic acid,Indolepyruvic acid,indolepyruvate,Indolyl-3-pyruvate,3-Indolepyruvic acid,3-Indolylpyroracemic acid,Indole pyruvic acid,UNII-4QM0LT13A8,NSC 88874,3-(indol-3-yl)pyruvic acid,(Indol-3-yl)pyruvate,1H-Indole-3-propanoic acid, .alpha.-oxo-,3-(3-Indolyl)-2-oxopropanoic acid,(indol-3-yl)pyruvic acid,4QM0LT13A8,CHEBI:29750,3-indol-3-yl-2-oxopropanoic acid,indol-3-yl pyruvic acid,3IO,beta-Indolepyruvic acid,beta-Indolylpyruvic acid,Indole-3-pyruvic acid monohydrate,EINECS 206-874-1,alpha-Oxo-1H-indole-3-propanoic acid,BRN 0172966,1H-Indole-3-propanoic acid, alpha-oxo-,3-Indolpyruvic acid,indol-3-pyruvic acid,3-indole-pyruvic acid,.beta.-Indolepyruvic acid,.beta.-Indolylpyruvic acid,bmse000646,bmse000685,1H-Indole-3-pyruvic acid,DSSTox_CID_22053,DSSTox_RID_79908,DSSTox_GSID_42053,5-22-06-00324 (Beilstein Handbook Reference),MLS000515792,ARONIS24313,SCHEMBL125249,CHEMBL485012,DTXSID3042053,HMS2270A21,EBD45217,NSC88874,ZINC1532617,Tox21_301365,MFCD00005640,NSC-88874,SBB003515,STL286879,AKOS005267243,MCULE-1073478615,VI30400,NCGC00247042-01,NCGC00255790-01,AC-10208,AS-63461,CAS-392-12-1,SMR000112266,ST056381,3-(1H-indol-3-yl)-2-keto-propionic acid,Indole-3-pyruvic acid, >=98.0% (TLC),FT-0627222,C00331,I-4200,1H-Indole-3-propanoic acid, alpha-oxo- (9CI),392I121,A824463,3-(1H-indol-3-yl)-2-oxidanylidene-propanoic acid,AC17FD8D-94BC-4C87-B5E6-D2B60F03B45D,Q23905803,F9995-2651,3-Indolylpyruvic acid; 3-(3-Indolyl)-2-oxopropanoic acid; alpha-Oxo-1H-indole-3-propanoic acid
Identifiers / External links
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CAS: 001-07-3,22-06-0,392-12-1
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PubChem CID: 803
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DSS TOX CID: DTXCID1022053
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ChemSpiderID: 781
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ChEMBL: CHEMBL125249,CHEMBL485012
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US FDA (UNII): UNII-4QM0LT13A8
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Wikidata (wiki): Q23905803
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Chemical Entities of Biological Interest (CHEBI): CHEBI:29750
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CompTox Chemicals Dashboard (DTXSID): DTXSID3042053
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SCHEMBL: SCHEMBL125249
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TOX21 samples 2:Tox21_301365
Structure
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Smiles: C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O
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Isomeric smiles: C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O
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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)
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Inchikey: RSTKLPZEZYGQPY-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C11H9NO3
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Molecular weight: 203.19
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Monoisotopic mass: 203.058243149
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Fungi
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Fungi id Species 174 Aspergillus nidulans