In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049WDR |
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Common Name | TG(P-18:0/17:2(9Z,12Z)/12:0) |
Systematic Name | 1-(1Z-octadecenyl)-2-(9Z,12Z-heptadecadienoyl)-3-dodecanoyl-sn-glycerol |
Synonyms | TG(P-47:2); TG(P-18:0_12:0_17:2) |
Exact Mass | |
Formula | C50H92O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | KVBBOKHOOBMTGO-XROXZKDMSA-N |
InChI | InChI=1S/C50H92O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-36-39-42-45-53-46-48(4 7-54-49(51)43-40-37-34-31-18-15-12-9-6-3)55-50(52)44-41-38-35-32-29-27-24-22-20- 17-14-11-8-5-2/h14,17,22,24,42,45,48H,4-13,15-16,18-21,23,25-41,43-44,46-47H2,1- 3H3/b17-14-,24-22-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCCCCC CC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |