In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019LJ9 |
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Common Name | TG(12:0/16:1(9Z)/15:1(9Z)) |
Systematic Name | 1-dodecanoyl-2-(9Z-hexadecenoyl)-3-(9Z-pentadecenoyl)-sn-glycerol |
Synonyms | TG(43:2); TG(12:0_15:1_16:1) |
Exact Mass | |
Formula | C46H84O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | AHRZYUACIHGPGV-QFYGMPOISA-N |
InChI | InChI=1S/C46H84O6/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-46(49)52-43(41-50-4 4(47)38-35-32-29-26-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-22-20-17-14-11- 8-5-2/h17,19-21,43H,4-16,18,22-42H2,1-3H3/b20-17-,21-19-/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |