In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039DDM |
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Common Name | PI(P-14:0/15:1(9Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-29:1); PI(P-14:0/15:1) |
Exact Mass | |
Formula | C38H71O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | VKHYNNWFFMXPFU-ZVTXBKOISA-N |
InChI | InChI=1S/C38H71O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(39)49-31(29-47-28-2 6-24-22-20-18-16-14-12-10-8-6-4-2)30-48-51(45,46)50-38-36(43)34(41)33(40)35(42)3 7(38)44/h11,13,26,28,31,33-38,40-44H,3-10,12,14-25,27,29-30H2,1-2H3,(H,45,46)/b1 3-11-,28-26-/t31-,33?,34-,35?,36?,37?,38-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/ C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |