In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019ABY |
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Common Name | PI(10:0/23:0) |
Systematic Name | 1-decanoyl-2-tricosanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(33:0); PI(10:0_23:0) |
Exact Mass | |
Formula | C42H81O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | RVWSQWGIUMYDMX-CUCDKVCGSA-N |
InChI | InChI=1S/C42H81O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29-3 1-36(44)54-34(32-52-35(43)30-28-26-24-10-8-6-4-2)33-53-56(50,51)55-42-40(48)38(4 6)37(45)39(47)41(42)49/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37?,38-,39?, 40?,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |