In-Silico Structure database (LMISSD)
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LM ID | LMGP08029AAN |
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Common Name | PIP2[3',4'](O-14:0/17:2(9Z,12Z)) |
Systematic Name | 1-tetradecyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](O-31:2); PIP2(O-14:0_17:2) |
Exact Mass | |
Formula | C40H77O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802] |
PubChem Compound ID (CID) | - |
InChIKey | HZLWXNTUKCSGEY-FKEMBOPDSA-N |
InChI | InChI=1S/C40H77O18P3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-34(41)55-33(31- 53-30-28-26-24-22-20-16-14-12-10-8-6-4-2)32-54-61(51,52)58-38-35(42)36(43)39(56- 59(45,46)47)40(37(38)44)57-60(48,49)50/h9,11,15,17,33,35-40,42-44H,3-8,10,12-14, 16,18-32H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b11-9-,17-15-/t33-,35?,36?, 37?,38+,39?,40+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C (OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |