| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 17:55:31 UTC |
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| Update Date | 2020-05-11 19:48:23 UTC |
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| BMDB ID | BMDB0009970 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | PIP(18:1(9Z)/16:0) |
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| Description | PIP(18:1(9Z)/16:0) is an extremely weak basic (essentially neutral) compound (based on its pKa). Within cattle, pip(18:1(9Z)/16:0) participates in a number of enzymatic reactions. In particular, pip(18:1(9Z)/16:0) can be converted into pi(16:0/18:1(9Z)); which is catalyzed by the enzyme synaptojanin-1. In addition, pip(18:1(9Z)/16:0) can be biosynthesized from pi(16:0/18:1(9Z)); which is mediated by the enzyme phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform. In cattle, pip(18:1(9Z)/16:0) is involved in the metabolic pathway called the phosphatidylinositol phosphate metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| {[(1R,2R,3S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonate | Generator |
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| Chemical Formula | C43H82O16P2 |
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| Average Molecular Weight | 917.061 |
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| Monoisotopic Molecular Weight | 916.507810556 |
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| IUPAC Name | {[(1R,2R,3S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid |
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| Traditional Name | [(1R,2R,3S)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2,4,5,6-tetrahydroxycyclohexyl]oxyphosphonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC |
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| InChI Identifier | InChI=1S/C43H82O16P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)55-33-35(57-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h17-18,35,38-43,46-49H,3-16,19-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b18-17-/t35-,38?,39?,40?,41-,42-,43+/m1/s1 |
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| InChI Key | HMCNHIZVSBCVJX-KZRLMICKSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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
- Intracellular membrane
- 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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