In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0304AXNO |
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Common Name | TG(P-22:1(11Z)/12:0/11:0) |
Systematic Name | 1-(1Z,11Z-docosenyl)-2-dodecanoyl-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-45:1); TG(P-22:1_11:0_12:0) |
Exact Mass | |
Formula | C48H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | NEUGDXDGUBSRLD-ZWANMEHYSA-N |
InChI | InChI=1S/C48H90O5/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-29-31-34-37-40-4 3-51-44-46(45-52-47(49)41-38-35-32-18-15-12-9-6-3)53-48(50)42-39-36-33-30-17-14- 11-8-5-2/h23-24,40,43,46H,4-22,25-39,41-42,44-45H2,1-3H3/b24-23-,43-40-/t46-/m1/ s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |