In-Silico Structure database (LMISSD)

MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMGP10059AAN
Common Name	LPA(17:2(9Z,12Z)/0:0)
Systematic Name	1-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphate
Synonyms	-
Exact Mass	420.2277 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C20H37O7P
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphates [GP10]
Sub Class	Monoacylglycerophosphates [GP1005]
PubChem Compound ID (CID)	-
InChIKey	BZKPZZCBZNVVMB-REFGTHLASA-N
InChI	InChI=1S/C20H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)26-17-19(21)18- 27-28(23,24)25/h5-6,8-9,19,21H,2-4,7,10-18H2,1H3,(H2,23,24,25)/b6-5-,9-8-/t19-/m 1/s1
SMILES	[C@](COP(=O)(O)O)([H])(O)COC(CCCCCCC/C=CC/C=CCCCC)=O
MS Spectra	-
Status	Active (generated by computational methods)