In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QFJ |
---|---|
Common Name | TG(P-16:1(9Z)/13:0/16:1(7Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-tridecanoyl-3-(7Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(P-45:2); TG(P-16:1_13:0_16:1) |
Exact Mass | |
Formula | C48H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | VGIKCWPKXZHDRG-KBSVWHMJSA-N |
InChI | InChI=1S/C48H88O5/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-51-44-46(53-48(5 0)42-39-36-33-29-21-18-15-12-9-6-3)45-52-47(49)41-38-35-32-30-27-25-23-20-17-14- 11-8-5-2/h19,22,25,27,40,43,46H,4-18,20-21,23-24,26,28-39,41-42,44-45H2,1-3H3/b2 2-19-,27-25-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |