In-Silico Structure database (LMISSD)
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LM ID | LMGL03049FMJ |
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Common Name | TG(P-16:0/10:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-decanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol |
Synonyms | TG(P-44:4); TG(P-16:0_10:0_18:4) |
Exact Mass | |
Formula | C47H82O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | CRLYHNNIBBPROE-CRHZZCKQSA-N |
InChI | InChI=1S/C47H82O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-32-34-37-40-46(48)51-44-4 5(52-47(49)41-38-35-31-15-12-9-6-3)43-50-42-39-36-33-30-28-26-23-21-19-17-14-11- 8-5-2/h7,10,16,18,22,24,27,29,39,42,45H,4-6,8-9,11-15,17,19-21,23,25-26,28,30-38 ,40-41,43-44H2,1-3H3/b10-7-,18-16-,24-22-,29-27-,42-39-/t45-/m1/s1 |
SMILES | C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCC CCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |