In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049C8D |
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Common Name | TG(P-14:0/20:4(5Z,8Z,11Z,13E)/11:0) |
Systematic Name | 2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-45:4); TG(P-14:0_11:0_20:4) |
Exact Mass | |
Formula | C48H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | IWSZORJJCHLLHO-WFCSLOTCSA-N |
InChI | InChI=1S/C48H84O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-33-36-39-42-48(50)5 3-46(45-52-47(49)41-38-35-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-22-20-17-14- 11-8-5-2/h19,21,23-24,26-27,30,33,40,43,46H,4-18,20,22,25,28-29,31-32,34-39,41-4 2,44-45H2,1-3H3/b21-19+,24-23-,27-26-,33-30-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)CO/C=C\CCCCCCC CCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |