| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 16:58:38 UTC |
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| Update Date | 2020-04-22 18:55:05 UTC |
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| BMDB ID | BMDB0095945 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 13E-Tetranor-16-carboxy-LTE4 |
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| Description | 13E-Tetranor-16-carboxy-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, 13E-tetranor-16-carboxy-lte4 is considered to be an eicosanoid. Based on a literature review a small amount of articles have been published on 13E-Tetranor-16-carboxy-LTE4. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Omega-COOH-13E-tetranor-lte4 | HMDB |
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| Chemical Formula | C19H27NO7S |
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| Average Molecular Weight | 413.485 |
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| Monoisotopic Molecular Weight | 413.150822913 |
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| IUPAC Name | (3E,5Z,7E,9E,11R,12S)-11-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid |
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| Traditional Name | (3E,5Z,7E,9E,11R,12S)-11-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-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/CC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5+,10-6+/t14-,15+,16-/m1/s1 |
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| InChI Key | MAFGRSDWXFSHMK-SRKAIYCDSA-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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