In-Silico Structure database (LMISSD)
| |
LM ID | LMGL03049CB2 |
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Common Name | TG(P-14:0/18:4(6Z,9Z,12Z,15Z)/10:0) |
Systematic Name | 2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-decanoyl-sn-glycerol |
Synonyms | TG(P-42:4); TG(P-14:0_10:0_18:4) |
Exact Mass | |
Formula | C45H78O5 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | 1Z-alkenyldiacylglycerols [GL0304] |
PubChem Compound ID (CID) | - |
InChIKey | XOPPMHMEDWMGRM-MIWQLHGRSA-N |
InChI | InChI=1S/C45H78O5/c1-4-7-10-13-16-18-20-22-23-24-25-27-30-33-36-39-45(47)50-43(4 2-49-44(46)38-35-32-29-15-12-9-6-3)41-48-40-37-34-31-28-26-21-19-17-14-11-8-5-2/ h7,10,16,18,22-23,25,27,37,40,43H,4-6,8-9,11-15,17,19-21,24,26,28-36,38-39,41-42 H2,1-3H3/b10-7-,18-16-,23-22-,27-25-,40-37-/t43-/m1/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCC CCC |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |