In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049CB7 |
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Common Name | TG(P-14:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) |
Systematic Name | 2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(P-46:5); TG(P-14:0_14:1_18:4) |
Exact Mass | |
Formula | C49H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | RQRXUBRKLRZGPW-KERCXYTOSA-N |
InChI | InChI=1S/C49H84O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-49(51)54-47(4 5-52-44-41-38-35-32-29-23-20-17-14-11-8-5-2)46-53-48(50)42-39-36-33-30-27-21-18- 15-12-9-6-3/h7,10,15-16,18-19,24-25,28,31,41,44,47H,4-6,8-9,11-14,17,20-23,26-27 ,29-30,32-40,42-43,45-46H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,31-28-,44-41-/t47-/ m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CC CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |