In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01019ABK
Common NamePC(10:0/20:4(5Z,8Z,11Z,13E))
Systematic Name1-decanoyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(30:4); PC(10:0_20:4)
Exact Mass
697.4683 (neutral)    Calculate m/z:
FormulaC38H68NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassDiacylglycerophosphocholines [GP0101]
PubChem Compound ID (CID)-
InChIKeyMAWMISKTWSPTCA-VCHVBXMISA-N
InChIInChI=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/h15-
18,20-21,23,25,36H,6-14,19,22,24,26-35H2,1-5H3/b16-15+,18-17-,21-20-,25-23-/t36-
/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COC(
CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)