| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-11 23:18:31 UTC |
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| Updated at | 2024-09-11 23:18:31 UTC |
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| NP-MRD ID | NP0339737 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | indole-3-acetyl-glutamate |
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| Description | Indole-3-acetyl-glutamate belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. indole-3-acetyl-glutamate was first documented in 2000 (PMID: 10859188). Based on a literature review very few articles have been published on indole-3-acetyl-glutamate. |
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| Structure | [O-]C(=O)CCC(NC(=O)CC1=CNC2=C1C=CC=C2)C([O-])=O 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)/p-2 |
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| Synonyms | | Value | Source |
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| Indole-3-acetyl-glutamic acid | Generator |
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| Chemical Formula | C15H14N2O5 |
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| Average Mass | 302.2870 Da |
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| Monoisotopic Mass | 302.09137 Da |
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| IUPAC Name | 2-[2-(1H-indol-3-yl)acetamido]pentanedioate |
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| Traditional Name | 2-[2-(1H-indol-3-yl)acetamido]pentanedioate |
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| CAS Registry Number | Not Available |
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| SMILES | [O-]C(=O)CCC(NC(=O)CC1=CNC2=C1C=CC=C2)C([O-])=O |
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| InChI Identifier | 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)/p-2 |
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| InChI Key | YRKLGWOHYXIKSF-UHFFFAOYNA-L |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Glutamic acid and derivatives |
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| Alternative Parents | |
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| Substituents | - Glutamic acid or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- 3-alkylindole
- Indole
- Indole or derivatives
- Dicarboxylic acid or derivatives
- Substituted pyrrole
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Carboxamide group
- Secondary carboxylic acid amide
- Azacycle
- Organoheterocyclic compound
- Carboxylic acid
- Hydrocarbon derivative
- Carbonyl group
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organooxygen compound
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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