In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03019KX9 |
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Common Name | TG(12:0/10:0/20:4(5Z,8Z,10E,14Z)) |
Systematic Name | 1-dodecanoyl-2-decanoyl-3-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycerol |
Synonyms | TG(42:4); TG(10:0_12:0_20:4) |
Exact Mass | |
Formula | C45H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | KMHXKEOUWFRUES-CXLVFRBTSA-N |
InChI | InChI=1S/C45H78O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-27-30-32-35-38-44(47)5 0-41-42(51-45(48)39-36-33-28-15-12-9-6-3)40-49-43(46)37-34-31-29-26-17-14-11-8-5 -2/h16,18,21-24,27,30,42H,4-15,17,19-20,25-26,28-29,31-41H2,1-3H3/b18-16-,22-21+ ,24-23-,30-27-/t42-/m1/s1 |
SMILES | C(OC(=O)CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCCCC )=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |