In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AAC |
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Common Name | PI(O-14:0/12:0) |
Systematic Name | 1-tetradecyl-2-dodecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-26:0); PI(O-14:0/12:0) |
Exact Mass | |
Formula | C35H69O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | HPASMAIBTGZQQC-PXIBLHIZSA-N |
InChI | InChI=1S/C35H69O12P/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-44-26-28(46-29(36)24-2 2-20-18-16-12-10-8-6-4-2)27-45-48(42,43)47-35-33(40)31(38)30(37)32(39)34(35)41/h 28,30-35,37-41H,3-27H2,1-2H3,(H,42,43)/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](O)C(O)C(O)C1O)COCCCCCCC CCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |