| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:53:40 UTC |
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| Update Date | 2020-04-22 15:10:32 UTC |
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| BMDB ID | BMDB0002288 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 5-cis-8-cis-Tetradecadienoyl-CoA |
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| Description | 5-cis-8-cis-Tetradecadienoyl-CoA, also known as S-(5Z,8Z)-5,8-tetradecadienoate or 5Z,8Z-tetradecadienoyl-CoA, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on 5-cis-8-cis-Tetradecadienoyl-CoA. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 5Z,8Z-Tetradecadienoyl-CoA | HMDB | | 5Z,8Z-Tetradecadienoyl-coenzyme A | HMDB | | cis,cis-5,8-Tetradecadienoyl-CoA | HMDB | | cis,cis-5,8-Tetradecadienoyl-coenzime a | HMDB | | cis,cis-5,8-Tetradecadienoyl-coenzyme A | HMDB | | cis,cis-Myristo-5,8-dienoyl-CoA | HMDB | | cis,cis-Myristo-5,8-dienoyl-coenzyme A | HMDB | | cis,cis-Tetradeca-5,8-dienoyl-CoA | HMDB | | cis,cis-Tetradeca-5,8-dienoyl-coenzyme A | HMDB | | S-(5Z,8Z)-5,8-Tetradecadienoate | HMDB | | S-(5Z,8Z)-5,8-Tetradecadienoate CoA | HMDB | | S-(5Z,8Z)-5,8-Tetradecadienoate coenzyme A | HMDB | | S-(5Z,8Z)-5,8-Tetradecadienoic acid | HMDB | | S-(5Z,8Z)-Tetradecadienoyl-CoA | HMDB | | S-(5Z,8Z)-Tetradecadienoyl-coenzyme A | HMDB | | Tetradeca-5Z,8Z-dienoyl-CoA | HMDB | | Tetradeca-5Z,8Z-dienoyl-coenzyme A | HMDB |
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| Chemical Formula | C35H58N7O17P3S |
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| Average Molecular Weight | 973.858 |
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| Monoisotopic Molecular Weight | 973.282273691 |
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| IUPAC Name | {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(5Z,8Z)-tetradeca-5,8-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid |
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| Traditional Name | [5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(5Z,8Z)-tetradeca-5,8-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid |
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| CAS Registry Number | 68134-76-9 |
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| SMILES | CCCCC\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N |
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| InChI Identifier | InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b9-8-,12-11- |
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| InChI Key | MJBZUCVXTFUVFY-MURFETPASA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | O-glycosyl compounds |
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| Alternative Parents | |
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| Substituents | - O-glycosyl compound
- Monosaccharide
- Oxane
- Acetamide
- Carboxamide group
- Secondary alcohol
- Secondary carboxylic acid amide
- Acetal
- Carboxylic acid derivative
- Polyol
- Oxacycle
- Organoheterocyclic compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Alcohol
- Hydrocarbon derivative
- Primary alcohol
- Carbonyl group
- Organic nitrogen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic 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 | - Cell membrane
- Cytoplasm
- Membrane
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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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