In-Silico Structure database (LMISSD)
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LM ID | LMGP08039ABN |
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Common Name | PIP2[3',4'](P-16:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3- phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](P-36:4); PIP2(P-16:0_20:4) |
Exact Mass | |
Formula | C45H81O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | CDSMGFAAJUKDFP-KFLSGBGHSA-N |
InChI | InChI=1S/C45H81O18P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46) 60-38(36-58-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-59-66(56,57)63-43-40( 47)41(48)44(61-64(50,51)52)45(42(43)49)62-65(53,54)55/h7,9,13,15,19-20,22,24,33, 35,38,40-45,47-49H,3-6,8,10-12,14,16-18,21,23,25-32,34,36-37H2,1-2H3,(H,56,57)(H 2,50,51,52)(H2,53,54,55)/b9-7+,15-13+,20-19+,24-22+,35-33-/t38-,40?,41?,42?,43+, 44?,45+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=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) |