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	LMGL03019AAE
Common Name	TG(10:0/10:0/14:0)
Systematic Name	1,2-di-decanoyl-3-tetradecanoyl-sn-glycerol
Synonyms	TG(34:0); TG(10:0_10:0_14:0)
Exact Mass	610.5172 (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	C37H70O6
Category	Glycerolipids [GL]
Main Class	Triradylglycerols [GL03]
Sub Class	Triacylglycerols [GL0301]
PubChem Compound ID (CID)	-
InChIKey	ANPBNWKAHAXTFP-UUWRZZSWSA-N
InChI	InChI=1S/C37H70O6/c1-4-7-10-13-16-17-18-19-22-24-27-30-36(39)42-33-34(43-37(40)3 1-28-25-21-15-12-9-6-3)32-41-35(38)29-26-23-20-14-11-8-5-2/h34H,4-33H2,1-3H3/t34 -/m1/s1
SMILES	C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra	-      Predict MS/MS spectrum ([M+NH4]+)
Status	Active (generated by computational methods)