| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 16:58:39 UTC |
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| Update Date | 2020-04-22 18:55:05 UTC |
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| BMDB ID | BMDB0095946 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 18-Carboxy-dinor-LTE4 |
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| Description | 18-Carboxy-dinor-LTE4 belongs to the class of organic compounds known as cysteine and derivatives. Cysteine 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. Thus, 18-carboxy-dinor-lte4 is considered to be an eicosanoid. Based on a literature review a small amount of articles have been published on 18-Carboxy-dinor-LTE4. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Omega-COOH-dinor-lte(,4) | HMDB |
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| Chemical Formula | C21H31NO7S |
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| Average Molecular Weight | 441.538 |
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| Monoisotopic Molecular Weight | 441.182123041 |
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| IUPAC Name | (4Z,7Z,9E,11E,13R,14S)-13-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid |
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| Traditional Name | (4Z,7Z,9E,11E,13R,14S)-13-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid |
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| CAS Registry Number | Not Available |
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| SMILES | N[C@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C21H31NO7S/c22-16(21(28)29)15-30-18(17(23)11-10-14-20(26)27)12-8-6-4-2-1-3-5-7-9-13-19(24)25/h1-2,4-8,12,16-18,23H,3,9-11,13-15,22H2,(H,24,25)(H,26,27)(H,28,29)/b2-1-,6-4+,7-5-,12-8+/t16-,17+,18-/m1/s1 |
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| InChI Key | OXCSBZDIZXLXRX-CBAWHTJISA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as cysteine and derivatives. Cysteine 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 | Cysteine and derivatives |
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| Alternative Parents | |
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| Substituents | - Cysteine or derivatives
- S-alkyl-l-cysteine
- Alpha-amino acid
- D-alpha-amino acid
- Tricarboxylic acid or derivatives
- Hydroxy fatty acid
- Thia fatty acid
- Fatty acyl
- Secondary alcohol
- Amino acid
- Carboxylic acid
- Dialkylthioether
- Sulfenyl compound
- Thioether
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Organic nitrogen compound
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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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 | 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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| Spectra |
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| Spectra | |
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