In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049GFR |
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Common Name | TG(P-16:0/17:2(9Z,12Z)/14:1(9Z)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(9Z,12Z-heptadecadienoyl)-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(P-47:3); TG(P-16:0_14:1_17:2) |
Exact Mass | |
Formula | C50H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | XITYKTFMNGMALK-CAVWSUJBSA-N |
InChI | InChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-41-44-50(52)55-48(47-5 4-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-27-25-23-20- 17-14-11-8-5-2/h13,15-16,18,22,24,42,45,48H,4-12,14,17,19-21,23,25-41,43-44,46-4 7H2,1-3H3/b16-13-,18-15-,24-22-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCCCCC CCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |