In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AL0 |
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Common Name | PC(P-18:1(9Z)/15:1(9Z)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(P-33:2); PC(P-18:1/15:1) |
Exact Mass | |
Formula | C41H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | UHQAXNGBZAMNGE-LIVIFMIKSA-N |
InChI | InChI=1S/C41H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40 (39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7- 2/h15,17,20-21,33,36,40H,6-14,16,18-19,22-32,34-35,37-39H2,1-5H3/b17-15-,21-20-, 36-33-/t40-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\CCCCCC/C=C \CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |