In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049HGK |
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Common Name | TG(P-16:0/18:2(9Z,12Z)/12:0) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(9Z,12Z-octadecadienoyl)-3-dodecanoyl-sn-glycerol |
Synonyms | TG(P-46:2); TG(P-16:0_12:0_18:2) |
Exact Mass | |
Formula | C49H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | IPYPXTRSWBHNKA-OMUCVDBOSA-N |
InChI | InChI=1S/C49H90O5/c1-4-7-10-13-16-19-21-23-25-26-28-31-34-37-40-43-49(51)54-47(4 6-53-48(50)42-39-36-33-30-18-15-12-9-6-3)45-52-44-41-38-35-32-29-27-24-22-20-17- 14-11-8-5-2/h16,19,23,25,41,44,47H,4-15,17-18,20-22,24,26-40,42-43,45-46H2,1-3H3 /b19-16-,25-23-,44-41-/t47-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCC C |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |