In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AZN |
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Common Name | PC(P-22:1(9Z)/10:0) |
Systematic Name | 1-(1Z,9Z-docosenyl)-2-decanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-32:1); PC(P-22:1/10:0) |
Exact Mass | |
Formula | C40H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | PIJFSHFQQSTNKA-MYBPPPFOSA-N |
InChI | InChI=1S/C40H78NO7P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32 -35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-13-11-9-7-2/h 21-22,32,35,39H,6-20,23-31,33-34,36-38H2,1-5H3/b22-21-,35-32-/t39-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCC CCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |