In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0304902T |
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Common Name | TG(P-18:1(11Z)/13:0/16:1(7Z)) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-tridecanoyl-3-(7Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(P-47:2); TG(P-18:1_13:0_16:1) |
Exact Mass | |
Formula | C50H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | KVFIDSLAXCDONB-YYWSBJDHSA-N |
InChI | InChI=1S/C50H92O5/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-53-46-48(5 5-50(52)44-41-38-35-31-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-32-29-27-23-20- 17-14-11-8-5-2/h19,22,27,29,42,45,48H,4-18,20-21,23-26,28,30-41,43-44,46-47H2,1- 3H3/b22-19-,29-27-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC CC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |