In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029ARD |
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Common Name | PI(O-18:1(9Z)/19:0) |
Systematic Name | 1-(9Z-octadecenyl)-2-nonadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-37:1); PI(O-18:1/19:0) |
Exact Mass | |
Formula | C46H89O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | OFNNOSBGUVJSLI-VNJAHZLOSA-N |
InChI | InChI=1S/C46H89O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(47)57-3 9(38-56-59(53,54)58-46-44(51)42(49)41(48)43(50)45(46)52)37-55-36-34-32-30-28-26- 24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39,41-46,48-52H,3-17,19,21-38H2,1-2H3,(H, 53,54)/b20-18-/t39-,41?,42-,43?,44?,45?,46-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO CCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |