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	LMSP02059BBU
Common Name	CerP(d16:2(4E,6E)/10:0(2OH[R]))
Systematic Name	N-(2R-hydroxydecanoyl)-4E,6E-hexadecasphingadienine-1-phosphate
Synonyms	CerP(d26:2h); CerP(d16:2/10:0h)
Exact Mass	519.3325 (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	C26H50NO7P
Category	Sphingolipids [SP]
Main Class	Ceramides [SP02]
Sub Class	Ceramide 1-phosphates [SP0205]
PubChem Compound ID (CID)	-
InChIKey	WZVSUUMJEUXCIX-AIEPYINDSA-N
InChI	InChI=1S/C26H50NO7P/c1-3-5-7-9-11-12-13-14-15-17-18-20-24(28)23(22-34-35(31,32)3 3)27-26(30)25(29)21-19-16-10-8-6-4-2/h15,17-18,20,23-25,28-29H,3-14,16,19,21-22H 2,1-2H3,(H,27,30)(H2,31,32,33)/b17-15+,20-18+/t23-,24+,25+/m0/s1
SMILES	[C@](COP(=O)(O)O)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCCC
MS Spectra	-
Status	Active (generated by computational methods)