In-Silico Structure database (LMISSD)
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LM ID | LMGL03049ADG |
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Common Name | TG(P-14:0/11:0/18:3(9Z,12Z,15Z)) |
Systematic Name | 2-undecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol |
Synonyms | TG(P-43:3); TG(P-14:0_11:0_18:3) |
Exact Mass | |
Formula | C46H82O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | HCSBCKDRFKNHBZ-XJWIRATQSA-N |
InChI | InChI=1S/C46H82O5/c1-4-7-10-13-16-19-21-23-24-25-26-28-31-33-36-39-45(47)50-43-4 4(51-46(48)40-37-34-30-18-15-12-9-6-3)42-49-41-38-35-32-29-27-22-20-17-14-11-8-5 -2/h7,10,16,19,23-24,38,41,44H,4-6,8-9,11-15,17-18,20-22,25-37,39-40,42-43H2,1-3 H3/b10-7-,19-16-,24-23-,41-38-/t44-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCC C |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |