In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039DDS |
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Common Name | PC(P-14:0/17:2(9Z,12Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(P-31:2); PC(P-14:0/17:2) |
Exact Mass | |
Formula | C39H74NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | MPBDWSNSGMNFGL-YFZXMOPSSA-N |
InChI | InChI=1S/C39H74NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-39(41)47-38(37 -46-48(42,43)45-35-33-40(3,4)5)36-44-34-31-29-27-25-23-19-17-15-13-11-9-7-2/h12, 14,18,20,31,34,38H,6-11,13,15-17,19,21-30,32-33,35-37H2,1-5H3/b14-12-,20-18-,34- 31-/t38-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCC CCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |