In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AXC |
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Common Name | PI(16:1(9Z)/10:0) |
Systematic Name | 1-(9Z-hexadecenoyl)-2-decanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(26:1); PI(10:0_16:1) |
Exact Mass | |
Formula | C35H65O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | JGYMAHPDWQRDSV-ISSBOLIHSA-N |
InChI | InChI=1S/C35H65O13P/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(36)45-25-27(47-2 9(37)24-22-20-17-10-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)4 2/h12-13,27,30-35,38-42H,3-11,14-26H2,1-2H3,(H,43,44)/b13-12-/t27-,30?,31-,32?,3 3?,34?,35-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCC /C=C\CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |