Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2007-05-22 21:38:47 UTC |
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Update Date | 2020-02-26 21:26:19 UTC |
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HMDB ID | HMDB0006288 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | All trans decaprenyl diphosphate |
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Description | All trans decaprenyl diphosphate belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. Based on a literature review very few articles have been published on All trans decaprenyl diphosphate. |
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Structure | [P](OCC=C(C)C)(OCC=C(C)C)(=O)(OP(OCC=C(C)C)(OCC=C(C)C)=O)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)CC=C(C)C InChI=1S/C50H90O7P2/c1-41(2)21-31-53-58(51,54-32-22-42(3)4)57-59(52,35-25-45(9)10,36-26-46(11)12,37-27-47(13)14,38-28-48(15)16,39-29-49(17)18,40-30-50(19)20,55-33-23-43(5)6)56-34-24-44(7)8/h21-30H,31-40H2,1-20H3 |
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Synonyms | Value | Source |
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all trans Decaprenyl diphosphoric acid | Generator | Bis(3-methylbut-2-en-1-yl) ({bis[(3-methylbut-2-en-1-yl)oxy]phosphoryl}oxy)hexakis(3-methylbut-2-en-1-yl)phosphonic acid | Generator, HMDB | all-trans-Decaprenyl diphosphoric acid | Generator |
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Chemical Formula | C50H90O7P2 |
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Average Molecular Weight | 865.1929 |
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Monoisotopic Molecular Weight | 864.616178258 |
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IUPAC Name | bis(3-methylbut-2-en-1-yl) {[hexakis(3-methylbut-2-en-1-yl)bis[(3-methylbut-2-en-1-yl)oxy]phosphoroso]oxy}phosphonate |
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Traditional Name | bis(3-methylbut-2-en-1-yl) [hexakis(3-methylbut-2-en-1-yl)bis(3-methylbut-2-en-1-yl)oxyphosphoroso]oxyphosphonate |
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CAS Registry Number | Not Available |
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SMILES | [P](OCC=C(C)C)(OCC=C(C)C)(=O)(OP(OCC=C(C)C)(OCC=C(C)C)=O)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)(CC=C(C)C)CC=C(C)C |
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InChI Identifier | InChI=1S/C50H90O7P2/c1-41(2)21-31-53-58(51,54-32-22-42(3)4)57-59(52,35-25-45(9)10,36-26-46(11)12,37-27-47(13)14,38-28-48(15)16,39-29-49(17)18,40-30-50(19)20,55-33-23-43(5)6)56-34-24-44(7)8/h21-30H,31-40H2,1-20H3 |
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InChI Key | UAYWNGPBKZFVAV-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Isoprenoid phosphates |
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Direct Parent | Isoprenoid phosphates |
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Alternative Parents | |
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Substituents | - Isoprenoid phosphate
- Dialkyl phosphate
- Alkyl phosphate
- Phosphonic acid ester
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Organophosphonic acid derivative
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organophosphorus compound
- Organooxygen 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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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesNot Available |
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