In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039ACX |
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Common Name | PC(P-16:1(11Z)/17:1(9Z)) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(P-33:2); PC(P-16:1/17:1) |
Exact Mass | |
Formula | C41H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | PENNFIPMTIFVBC-LQNIOAHJSA-N |
InChI | InChI=1S/C41H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(43)49-40(39 -48-50(44,45)47-37-35-42(3,4)5)38-46-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7- 2/h13,15,18,20,33,36,40H,6-12,14,16-17,19,21-32,34-35,37-39H2,1-5H3/b15-13-,20-1 8-,36-33-/t40-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCC /C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |