In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AAB |
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Common Name | PI(10:0/11:0) |
Systematic Name | 1-decanoyl-2-undecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(21:0); PI(10:0_11:0) |
Exact Mass | |
Formula | C30H57O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | SGAHRAJMIHRXJL-BOWGPMOXSA-N |
InChI | InChI=1S/C30H57O13P/c1-3-5-7-9-11-13-15-17-19-24(32)42-22(20-40-23(31)18-16-14-1 2-10-8-6-4-2)21-41-44(38,39)43-30-28(36)26(34)25(33)27(35)29(30)37/h22,25-30,33- 37H,3-21H2,1-2H3,(H,38,39)/t22-,25?,26-,27?,28?,29?,30-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCC CCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |