In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301D0KS |
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Common Name | TG(18:4(6Z,9Z,12Z,15Z)/13:0/11:0) |
Systematic Name | 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-tridecanoyl-3-undecanoyl-sn-glycerol |
Synonyms | TG(42:4); TG(11:0_13:0_18:4) |
Exact Mass | |
Formula | C45H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | ZDYLGSUAWFDHQD-PUQDQJMUSA-N |
InChI | InChI=1S/C45H78O6/c1-4-7-10-13-16-19-21-22-23-24-25-27-29-32-35-38-44(47)50-41-4 2(40-49-43(46)37-34-31-28-18-15-12-9-6-3)51-45(48)39-36-33-30-26-20-17-14-11-8-5 -2/h7,10,16,19,22-23,25,27,42H,4-6,8-9,11-15,17-18,20-21,24,26,28-41H2,1-3H3/b10 -7-,19-16-,23-22-,27-25-/t42-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\C C)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |