In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/37:0/37:0)
Systematic Name
1-nonatriacontanoyl-2-heptatriacontanoyl-3-heptatriacontanoyl-sn-glycerol
LM ID
LMGL0301LJCK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1717.753590
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
SJHWSBUCNIRPEM-GEOFYGPCSA-N
InChi (Click to copy)
InChI=1S/C116H228O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-59-62-64-67-70-73-76-79-82-85-88-91-94-97-100-103-106-109-115(118)121-112-113(122-116(119)110-107-104-101-98-95-92-89-86-83-80-77-74-71-68-65-61-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)111-120-114(117)108-105-102-99-96-93-90-87-84-81-78-75-72-69-66-63-60-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h113H,4-112H2,1-3H3/t113-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O