In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/37:0/35:0)
Systematic Name
1-nonatriacontanoyl-2-heptatriacontanoyl-3-pentatriacontanoyl-sn-glycerol
LM ID
LMGL0301LJCI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1689.722290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
AHUPBNCZNIMORQ-FDDCLIKWSA-N
InChi (Click to copy)
InChI=1S/C114H224O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-57-58-60-62-65-68-71-74-77-80-83-86-89-92-95-98-101-104-107-113(116)119-110-111(109-118-112(115)106-103-100-97-94-91-88-85-82-79-76-73-70-67-64-61-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)120-114(117)108-105-102-99-96-93-90-87-84-81-78-75-72-69-66-63-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h111H,4-110H2,1-3H3/t111-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O