In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QDV |
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Common Name | TG(P-16:1(9Z)/12:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-dodecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn- glycerol |
Synonyms | TG(P-46:5); TG(P-16:1_12:0_18:4) |
Exact Mass | |
Formula | C49H84O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | ALAIDXRLGYHCQP-DOPCUAGFSA-N |
InChI | InChI=1S/C49H84O5/c1-4-7-10-13-16-19-21-23-25-26-28-31-33-36-39-42-48(50)53-46-4 7(54-49(51)43-40-37-34-30-18-15-12-9-6-3)45-52-44-41-38-35-32-29-27-24-22-20-17- 14-11-8-5-2/h7,10,16,19-20,22-23,25,28,31,41,44,47H,4-6,8-9,11-15,17-18,21,24,26 -27,29-30,32-40,42-43,45-46H2,1-3H3/b10-7-,19-16-,22-20-,25-23-,31-28-,44-41-/t4 7-/m1/s1 |
SMILES | C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCC/ C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |