In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039AOH |
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Common Name | PI(P-20:0/17:2(9Z,12Z)) |
Systematic Name | 1-(1Z-eicosenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-37:2); PI(P-20:0/17:2) |
Exact Mass | |
Formula | C46H85O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | KNQSKOYIVAQKTO-PZDXFZPPSA-N |
InChI | InChI=1S/C46H85O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-55-3 7-39(38-56-59(53,54)58-46-44(51)42(49)41(48)43(50)45(46)52)57-40(47)35-33-31-29- 27-25-23-18-16-14-12-10-8-6-4-2/h10,12,16,18,34,36,39,41-46,48-52H,3-9,11,13-15, 17,19-33,35,37-38H2,1-2H3,(H,53,54)/b12-10-,18-16-,36-34-/t39-,41?,42-,43?,44?,4 5?,46-/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)CO/C=C\CCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |