In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01019BKJ |
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Common Name | PC(18:1(6Z)/14:1(9Z)) |
Systematic Name | 1-(6Z-octadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(32:2); PC(14:1_18:1) |
Exact Mass | |
Formula | C40H76NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | Diacylglycerophosphocholines [GP0101] |
PubChem Compound ID (CID) | - |
InChIKey | FRYZRXQGNMAKCR-OXPAISGESA-N |
InChI | InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36 -38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7- 2/h13,15,23-24,38H,6-12,14,16-22,25-37H2,1-5H3/b15-13-,24-23-/t38-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCC/C=C\CCCCC CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |