In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301GIQ2 |
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Common Name | TG(20:4(7E,10E,13E,16E)/10:0/13:0) |
Systematic Name | 1-(7E,10E,13E,16E-eicosatetraenoyl)-2-decanoyl-3-tridecanoyl-sn-glycerol |
Synonyms | TG(43:4); TG(10:0_13:0_20:4) |
Exact Mass | |
Formula | C46H80O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | CILVZGUAPMKHKM-USVWFWAQSA-N |
InChI | InChI=1S/C46H80O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-28-31-33-36-39-45(48)5 1-42-43(52-46(49)40-37-34-29-15-12-9-6-3)41-50-44(47)38-35-32-30-27-19-17-14-11- 8-5-2/h10,13,18,20,22-23,25-26,43H,4-9,11-12,14-17,19,21,24,27-42H2,1-3H3/b13-10 +,20-18+,23-22+,26-25+/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/C CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |