In-Silico Structure database (LMISSD)
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LM ID | LMGP08039AAN |
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Common Name | PIP2[3',4'](P-16:0/17:2(9Z,12Z)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3, 4-bisphosphate |
Synonyms | PIP2[3',4'](P-33:2); PIP2(P-16:0_17:2) |
Exact Mass | |
Formula | C42H79O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | OXEZGCSMRYARQJ-NHYQVPSRSA-N |
InChI | InChI=1S/C42H79O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(43)57-35(33- 55-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-56-63(53,54)60-40-37(44)38(45) 41(58-61(47,48)49)42(39(40)46)59-62(50,51)52/h9,11,15,17,30,32,35,37-42,44-46H,3 -8,10,12-14,16,18-29,31,33-34H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b11-9- ,17-15-,32-30-/t35-,37?,38?,39?,40+,41?,42+/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)CO/C=C\CCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |