In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049AVD |
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Common Name | TG(P-14:0/16:1(7Z)/17:1(9Z)) |
Systematic Name | 2-(7Z-hexadecenoyl)-3-(9Z-heptadecenoyl)-sn-glycerol |
Synonyms | TG(P-47:2); TG(P-14:0_16:1_17:1) |
Exact Mass | |
Formula | C50H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | JCJJJFJDMYLALQ-DPKWVFATSA-N |
InChI | InChI=1S/C50H92O5/c1-4-7-10-13-16-19-22-25-27-28-31-34-37-40-43-49(51)54-47-48(4 6-53-45-42-39-36-33-30-24-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-29-26-23-20- 17-14-11-8-5-2/h22,25-26,29,42,45,48H,4-21,23-24,27-28,30-41,43-44,46-47H2,1-3H3 /b25-22-,29-26-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)CO/C=C\CCCCCCCCCC CC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |