In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08029AAC |
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Common Name | PIP2[3',4'](O-14:0/12:0) |
Systematic Name | 1-tetradecyl-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](O-26:0); PIP2(O-14:0_12:0) |
Exact Mass | |
Formula | C35H71O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802] |
PubChem Compound ID (CID) | - |
InChIKey | UPNRBPADKREPBF-WCCLEQQPSA-N |
InChI | InChI=1S/C35H71O18P3/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-48-26-28(50-29(36)24- 22-20-18-16-12-10-8-6-4-2)27-49-56(46,47)53-33-30(37)31(38)34(51-54(40,41)42)35( 32(33)39)52-55(43,44)45/h28,30-35,37-39H,3-27H2,1-2H3,(H,46,47)(H2,40,41,42)(H2, 43,44,45)/t28-,30?,31?,32?,33+,34?,35+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=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) |