In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049DS4 |
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Common Name | TG(P-14:0/22:4(7Z,10Z,13Z,16Z)/11:0) |
Systematic Name | 2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-undecanoyl-sn-glycerol |
Synonyms | TG(P-47:4); TG(P-14:0_11:0_22:4) |
Exact Mass | |
Formula | C50H88O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | YHBLYHZVFFHWNF-LOXSWRPUSA-N |
InChI | InChI=1S/C50H88O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-32-35-38-41-44-5 0(52)55-48(47-54-49(51)43-40-37-34-18-15-12-9-6-3)46-53-45-42-39-36-33-31-22-20- 17-14-11-8-5-2/h16,19,23-24,26-27,29-30,42,45,48H,4-15,17-18,20-22,25,28,31-41,4 3-44,46-47H2,1-3H3/b19-16-,24-23-,27-26-,30-29-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCC CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |