In-Silico Structure database (LMISSD)
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LM ID | LMGP08039AA0 |
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Common Name | PIP2[3',4'](P-16:0/18:2(9E,11E)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](P-34:2); PIP2(P-16:0_18:2) |
Exact Mass | |
Formula | C43H81O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | COXZXBGWHWWAJR-HMBIYGFASA-N |
InChI | InChI=1S/C43H81O18P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(44)58-36( 34-56-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)35-57-64(54,55)61-41-38(45)39( 46)42(59-62(48,49)50)43(40(41)47)60-63(51,52)53/h13,15,17,19,31,33,36,38-43,45-4 7H,3-12,14,16,18,20-30,32,34-35H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b15- 13+,19-17+,33-31-/t36-,38?,39?,40?,41+,42?,43+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C (OP(=O)(O)O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |