In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030496RV |
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Common Name | TG(P-18:1(9Z)/12:0/14:1(9Z)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-dodecanoyl-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(P-44:2); TG(P-18:1_12:0_14:1) |
Exact Mass | |
Formula | C47H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | JFLXUCAMVHITRK-ILLKVCBVSA-N |
InChI | InChI=1S/C47H86O5/c1-4-7-10-13-16-19-21-22-23-24-25-27-30-33-36-39-42-50-43-45(5 2-47(49)41-38-35-32-28-18-15-12-9-6-3)44-51-46(48)40-37-34-31-29-26-20-17-14-11- 8-5-2/h14,17,22-23,39,42,45H,4-13,15-16,18-21,24-38,40-41,43-44H2,1-3H3/b17-14-, 23-22-,42-39-/t45-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |