In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AE9 |
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Common Name | PIP3[3',4',5'](12:0/17:2(9Z,12Z)) |
Systematic Name | 1-dodecanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](29:2); PIP3(12:0_17:2) |
Exact Mass | |
Formula | C38H72O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | NTKLLPZGTYJDFT-UQHOXVOZSA-N |
InChI | InChI=1S/C38H72O22P4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(40)56-30(28- 54-31(39)26-24-22-20-18-12-10-8-6-4-2)29-55-64(52,53)60-35-33(41)36(57-61(43,44) 45)38(59-63(49,50)51)37(34(35)42)58-62(46,47)48/h9,11,14-15,30,33-38,41-42H,3-8, 10,12-13,16-29H2,1-2H3,(H,52,53)(H2,43,44,45)(H2,46,47,48)(H2,49,50,51)/b11-9-,1 5-14-/t30-,33?,34?,35-,36+,37?,38?/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(OP(=O)(O)O)C1O)COC(CCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |