In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QC0 |
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Common Name | TG(P-16:1(9Z)/12:0/11:0) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-dodecanoyl-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-39:1); TG(P-16:1_11:0_12:0) |
Exact Mass | |
Formula | C42H78O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | BSGVELIBURXVGR-FTPDUVGDSA-N |
InChI | InChI=1S/C42H78O5/c1-4-7-10-13-16-19-20-21-22-23-25-28-31-34-37-45-38-40(39-46-4 1(43)35-32-29-26-18-15-12-9-6-3)47-42(44)36-33-30-27-24-17-14-11-8-5-2/h19-20,34 ,37,40H,4-18,21-33,35-36,38-39H2,1-3H3/b20-19-,37-34-/t40-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |