In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QA8 |
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Common Name | TG(P-16:1(9Z)/11:0/18:1(6Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-undecanoyl-3-(6Z-octadecenoyl)-sn-glycerol |
Synonyms | TG(P-45:2); TG(P-16:1_11:0_18:1) |
Exact Mass | |
Formula | C48H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | HVDSPCLXRGKNBV-AKEWXMTOSA-N |
InChI | InChI=1S/C48H88O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-35-38-41-47(49)52-45-4 6(53-48(50)42-39-36-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-27-24-22-20-17-14- 11-8-5-2/h20,22,28,30,40,43,46H,4-19,21,23-27,29,31-39,41-42,44-45H2,1-3H3/b22-2 0-,30-28-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCC/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |