In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(4E)/30:0/10:0)
Systematic Name
1-(4E-octadecenoyl)-2-triacontanoyl-3-decanoyl-sn-glycerol
LM ID
LMGL0301B7YG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
944.877190
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
PORLMMLXRAZYKQ-QWTGJAINSA-N
InChi (Click to copy)
InChI=1S/C61H116O6/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-38-36-23-21-19-17-14-11-8-5-2/h45,48,58H,4-44,46-47,49-57H2,1-3H3/b48-45+/t58-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C/CCCCCCCCCCCCC)=O