In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049QZ6 |
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Common Name | TG(P-16:1(9Z)/17:1(9Z)/14:1(9Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(9Z-heptadecenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol |
Synonyms | TG(P-47:3); TG(P-16:1_14:1_17:1) |
Exact Mass | |
Formula | C50H90O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | QAUQSBMTXGSEJK-MUOWWTLMSA-N |
InChI | InChI=1S/C50H90O5/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-41-44-50(52)55-48(47-5 4-49(51)43-40-37-34-31-28-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-27-25-23-20- 17-14-11-8-5-2/h15,18,20,22-24,42,45,48H,4-14,16-17,19,21,25-41,43-44,46-47H2,1- 3H3/b18-15-,23-20-,24-22-,45-42-/t48-/m1/s1 |
SMILES | C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCC/C=C\C CCCCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |