In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049AL6 |
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Common Name | TG(P-14:0/14:1(9Z)/17:2(9Z,12Z)) |
Systematic Name | 2-(9Z-tetradecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol |
Synonyms | TG(P-45:3); TG(P-14:0_14:1_17:2) |
Exact Mass | |
Formula | C48H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | JSBKYJCPGVRGNE-UZUQIHQVSA-N |
InChI | InChI=1S/C48H86O5/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-47(49)52-45-46(4 4-51-43-40-37-34-31-28-23-20-17-14-11-8-5-2)53-48(50)42-39-36-33-30-26-21-18-15- 12-9-6-3/h13,15-16,18,22,24,40,43,46H,4-12,14,17,19-21,23,25-39,41-42,44-45H2,1- 3H3/b16-13-,18-15-,24-22-,43-40-/t46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCCC CCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |