In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AVE |
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Common Name | PI(16:1(7Z)/17:2(9Z,12Z)) |
Systematic Name | 1-(7Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(33:3); PI(16:1_17:2) |
Exact Mass | |
Formula | C42H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | WQOLKKPORLCYMI-CMBQKOQHSA-N |
InChI | InChI=1S/C42H75O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-5 3-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20- 18-16-14-12-10-8-6-4-2/h9,11,15,17-18,20,34,37-42,45-49H,3-8,10,12-14,16,19,21-3 3H2,1-2H3,(H,50,51)/b11-9-,17-15-,20-18-/t34-,37?,38-,39?,40?,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)COC(CCCCC/C=C\CCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |