| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:22:21 UTC |
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| Update Date | 2020-04-22 15:45:47 UTC |
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| BMDB ID | BMDB0011655 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 2-(3-Carboxy-3-aminopropyl)-L-histidine |
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| Description | 2-(3-Carboxy-3-aminopropyl)-L-histidine belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-(3-Carboxy-3-aminopropyl)-L-histidine exists in all eukaryotes, ranging from yeast to plants to humans. Based on a literature review very few articles have been published on 2-(3-Carboxy-3-aminopropyl)-L-histidine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-(3-Carboxy-3-aminopropyl)-L-histidine | ChEBI | | 2-(3-amino-3-Carboxypropyl)-L-histidine | HMDB | | 2-amino-4-[[4-(2-amino-2-Carboxy-ethyl)-1H-imidazol-2-yl]] butanoate | HMDB | | 2-amino-4-[[4-(2-amino-2-Carboxy-ethyl)-1H-imidazol-2-yl]] butanoic acid | HMDB |
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| Chemical Formula | C10H16N4O4 |
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| Average Molecular Weight | 256.2584 |
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| Monoisotopic Molecular Weight | 256.11715502 |
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| IUPAC Name | 2-amino-4-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}butanoic acid |
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| Traditional Name | 2-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}butanoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O |
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| InChI Identifier | InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1 |
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| InChI Key | CJCSNWWKPUXVRD-MLWJPKLSSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine 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 | Histidine and derivatives |
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| Alternative Parents | |
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| Substituents | - Histidine or derivatives
- Alpha-amino acid
- L-alpha-amino acid
- Imidazolyl carboxylic acid derivative
- Aralkylamine
- Dicarboxylic acid or derivatives
- Azole
- Imidazole
- Heteroaromatic compound
- Amino acid
- Carboxylic acid
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- Amine
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Solid |
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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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| Spectra |
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| Spectra | |
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