In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08029AAK |
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Common Name | PIP2[3',4'](O-14:0/16:1(9Z)) |
Systematic Name | 1-tetradecyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](O-30:1); PIP2(O-14:0_16:1) |
Exact Mass | |
Formula | C39H77O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802] |
PubChem Compound ID (CID) | - |
InChIKey | STQWFOQCZFWNII-GQZIUYMYSA-N |
InChI | InChI=1S/C39H77O18P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33(40)54-32(30-52- 29-27-25-23-21-19-16-14-12-10-8-6-4-2)31-53-60(50,51)57-37-34(41)35(42)38(55-58( 44,45)46)39(36(37)43)56-59(47,48)49/h13,15,32,34-39,41-43H,3-12,14,16-31H2,1-2H3 ,(H,50,51)(H2,44,45,46)(H2,47,48,49)/b15-13-/t32-,34?,35?,36?,37+,38?,39+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/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)COCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |