In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049ARB |
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Common Name | TG(P-14:0/15:1(9Z)/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 2-(9Z-pentadecenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol |
Synonyms | TG(P-47:5); TG(P-14:0_15:1_18:4) |
Exact Mass | |
Formula | C50H86O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | LLXDKUXSCYWBNY-UDBDWOOBSA-N |
InChI | InChI=1S/C50H86O5/c1-4-7-10-13-16-19-22-25-26-27-29-31-34-37-40-43-49(51)54-47-4 8(46-53-45-42-39-36-33-30-24-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-28-23-20- 17-14-11-8-5-2/h7,10,16-17,19-20,25-26,29,31,42,45,48H,4-6,8-9,11-15,18,21-24,27 -28,30,32-41,43-44,46-47H2,1-3H3/b10-7-,19-16-,20-17-,26-25-,31-29-,45-42-/t48-/ m1/s1 |
SMILES | C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\C CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |