In-Silico Structure database (LMISSD)
| |
LM ID | LMGL030490XO |
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Common Name | TG(P-18:1(11Z)/11:0/16:1(9Z)) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-undecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol |
Synonyms | TG(P-45:2); TG(P-18:1_11:0_16:1) |
Exact Mass | |
Formula | C48H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | RAPQLBCTNQHUBC-KQJAOYAZSA-N |
InChI | InChI=1S/C48H88O5/c1-4-7-10-13-16-19-21-23-24-25-27-29-31-34-37-40-43-51-44-46(5 3-48(50)42-39-36-32-18-15-12-9-6-3)45-52-47(49)41-38-35-33-30-28-26-22-20-17-14- 11-8-5-2/h19-22,40,43,46H,4-18,23-39,41-42,44-45H2,1-3H3/b21-19-,22-20-,43-40-/t 46-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |