In-Silico Structure database (LMISSD)
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LM ID | LMGP06019DXP |
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Common Name | PI(22:5(7Z,10Z,13Z,16Z,19Z)/10:0) |
Systematic Name | 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-decanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(32:5); PI(10:0_22:5) |
Exact Mass | |
Formula | C41H69O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | JPAPDCOTHPTIJJ-SAIKZRTPSA-N |
InChI | InChI=1S/C41H69O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-25-27-29-3 4(42)51-31-33(53-35(43)30-28-26-23-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)3 6(44)38(46)40(41)48/h5,7,11-12,14-15,17-18,20-21,33,36-41,44-48H,3-4,6,8-10,13,1 6,19,22-32H2,1-2H3,(H,49,50)/b7-5-,12-11-,15-14-,18-17-,21-20-/t33-,36?,37-,38?, 39?,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCC/C =C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |