In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01019AA1 |
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Common Name | PC(10:0/18:2(9E,12E)) |
Systematic Name | 1-decanoyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(28:2); PC(10:0_18:2) |
Exact Mass | |
Formula | C36H68NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | Diacylglycerophosphocholines [GP0101] |
PubChem Compound ID (CID) | - |
InChIKey | PBJQRVBOQXJAHG-HJIUBSNGSA-N |
InChI | InChI=1S/C36H68NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-27-29-36(39)45-34 (33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-13-11-9-7-2/h14-15,17- 18,34H,6-13,16,19-33H2,1-5H3/b15-14+,18-17+/t34-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COC(CCCCCCC CC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |