In-Silico Structure database (LMISSD)
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LM ID | LMGL030296ND |
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Common Name | TG(O-18:1(9Z)/10:0/16:1(7Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-decanoyl-3-(7Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(O-44:2); TG(O-18:1_10:0_16:1) |
Exact Mass | |
Formula | C47H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Alkyldiacylglycerols [GL0302] |
PubChem Compound ID (CID) | - |
InChIKey | NTOWVZCKXMDKKO-HJCQUQHXSA-N |
InChI | InChI=1S/C47H88O5/c1-4-7-10-13-16-18-20-22-23-24-26-28-30-33-36-39-42-50-43-45(5 2-47(49)41-38-35-31-15-12-9-6-3)44-51-46(48)40-37-34-32-29-27-25-21-19-17-14-11- 8-5-2/h22-23,25,27,45H,4-21,24,26,28-44H2,1-3H3/b23-22-,27-25-/t45-/m1/s1 |
SMILES | C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |