In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AAW |
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Common Name | PIP3[3',4',5'](10:0/18:1(9E)) |
Systematic Name | 1-decanoyl-2-(9E-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate |
Synonyms | PIP3[3',4',5'](28:1); PIP3(10:0_18:1) |
Exact Mass | |
Formula | C37H72O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | MGBSLLSJZWFTAG-HRUQTTHRSA-N |
InChI | InChI=1S/C37H72O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)55-29( 27-53-30(38)25-23-21-19-10-8-6-4-2)28-54-63(51,52)59-34-32(40)35(56-60(42,43)44) 37(58-62(48,49)50)36(33(34)41)57-61(45,46)47/h14-15,29,32-37,40-41H,3-13,16-28H2 ,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/b15-14+/t29-,32?,33?,34- ,35+,36?,37?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O P(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |