In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301D5TV |
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Common Name | TG(18:4(9E,11E,13E,15E)/12:0/12:0) |
Systematic Name | 1-(9E,11E,13E,15E-octadecatetraenoyl)-2-dodecanoyl-3-dodecanoyl-sn-glycerol |
Synonyms | TG(42:4); TG(12:0_12:0_18:4) |
Exact Mass | |
Formula | C45H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | YBIQNWOCPXPNDH-XJHXACQXSA-N |
InChI | InChI=1S/C45H78O6/c1-4-7-10-13-16-19-20-21-22-23-24-27-29-32-35-38-44(47)50-41-4 2(51-45(48)39-36-33-30-26-18-15-12-9-6-3)40-49-43(46)37-34-31-28-25-17-14-11-8-5 -2/h7,10,13,16,19-22,42H,4-6,8-9,11-12,14-15,17-18,23-41H2,1-3H3/b10-7+,16-13+,2 0-19+,22-21+/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)= O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |