In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AAC |
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Common Name | PI(10:0/12:0) |
Systematic Name | 1-decanoyl-2-dodecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(22:0); PI(10:0_12:0) |
Exact Mass | |
Formula | C31H59O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | LUJNZQYECYOAPN-KQCPWQDWSA-N |
InChI | InChI=1S/C31H59O13P/c1-3-5-7-9-11-12-14-16-18-20-25(33)43-23(21-41-24(32)19-17-1 5-13-10-8-6-4-2)22-42-45(39,40)44-31-29(37)27(35)26(34)28(36)30(31)38/h23,26-31, 34-38H,3-22H2,1-2H3,(H,39,40)/t23-,26?,27-,28?,29?,30?,31-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCC CCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |