In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019B21 |
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Common Name | PIP3[3',4',5'](18:2(9Z,11Z)/15:1(9Z)) |
Systematic Name | 1-(9Z,11Z-octadecadienoyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-3, 4,5-trisphosphate |
Synonyms | PIP3[3',4',5'](33:3); PIP3(15:1_18:2) |
Exact Mass | |
Formula | C42H78O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | YYRJATNWBNPSKY-JXBHKUDPSA-N |
InChI | InChI=1S/C42H78O22P4/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(43)58-32- 34(60-36(44)31-29-27-25-23-20-16-14-12-10-8-6-4-2)33-59-68(56,57)64-39-37(45)40( 61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h12-15,17-18,34,37-4 2,45-46H,3-11,16,19-33H2,1-2H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/ b14-12-,15-13-,18-17-/t34-,37?,38?,39-,40+,41?,42?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCC)=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(CCCCCCC/C=C\C=C/CCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |