In-Silico Structure database (LMISSD)
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LM ID | LMGP01019ABJ |
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Common Name | PC(10:0/20:4(5Z,8Z,10E,14Z)) |
Systematic Name | 1-decanoyl-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(30:4); PC(10:0_20:4) |
Exact Mass | |
Formula | C38H68NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | Diacylglycerophosphocholines [GP0101] |
PubChem Compound ID (CID) | - |
InChIKey | WDMHGYMCJKHDTJ-MLPVJDNISA-N |
InChI | InChI=1S/C38H68NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-38(41 )47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-13-11-9-7-2/h14- 15,18-21,23,25,36H,6-13,16-17,22,24,26-35H2,1-5H3/b15-14-,19-18+,21-20-,25-23-/t 36-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC( CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |