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	LMGP03059AAB
Common Name	LPS(11:0/0:0)
Systematic Name	1-undecanoyl-sn-glycero-3-phosphoserine
Synonyms	-
Exact Mass	427.1971 (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	C17H34NO9P
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoserines [GP03]
Sub Class	Monoacylglycerophosphoserines [GP0305]
PubChem Compound ID (CID)	-
InChIKey	NQWFMJUHORAOBZ-CABCVRRESA-N
InChI	InChI=1S/C17H34NO9P/c1-2-3-4-5-6-7-8-9-10-16(20)25-11-14(19)12-26-28(23,24)27-13 -15(18)17(21)22/h14-15,19H,2-13,18H2,1H3,(H,21,22)(H,23,24)/t14-,15+/m1/s1
SMILES	C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(O)COC(CCCCCCCCCC)=O)(=O)O
MS Spectra	-
Status	Active (generated by computational methods)