In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039B0N |
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Common Name | PIP2[4',5'](P-18:0/14:0) |
Systematic Name | 1-(1Z-octadecenyl)-2-tetradecanoyl-sn-glycero-3-phosphoinositol-4,5- bisphosphate |
Synonyms | PIP2[4',5'](P-32:0); PIP2(P-18:0_14:0) |
Exact Mass | |
Formula | C41H81O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | NBZCIJCGFWLKIU-HNQNGEFSSA-N |
InChI | InChI=1S/C41H81O18P3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-54-32-34( 56-35(42)30-28-26-24-22-20-14-12-10-8-6-4-2)33-55-62(52,53)59-39-36(43)37(44)40( 57-60(46,47)48)41(38(39)45)58-61(49,50)51/h29,31,34,36-41,43-45H,3-28,30,32-33H2 ,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b31-29-/t34-,36?,37+,38?,39-,40?,41?/ m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(= O)(O)O)C1O)CO/C=C\CCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |