In-Silico Structure database (LMISSD)
| |
LM ID | LMGL0301D55C |
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Common Name | TG(18:4(9E,11E,13E,15E)/15:1(9Z)/10:0) |
Systematic Name | 1-(9E,11E,13E,15E-octadecatetraenoyl)-2-(9Z-pentadecenoyl)-3-decanoyl-sn- glycerol |
Synonyms | TG(43:5); TG(10:0_15:1_18:4) |
Exact Mass | |
Formula | C46H78O6 |
Category | Glycerolipids [GL] |
Main Class | Triradylglycerols [GL03] |
Sub Class | Triacylglycerols [GL0301] |
PubChem Compound ID (CID) | - |
InChIKey | YEGHGILIBLTBKM-VUMCSSAUSA-N |
InChI | InChI=1S/C46H78O6/c1-4-7-10-13-16-18-20-22-23-24-26-27-30-33-36-39-45(48)51-42-4 3(41-50-44(47)38-35-32-29-15-12-9-6-3)52-46(49)40-37-34-31-28-25-21-19-17-14-11- 8-5-2/h7,10,13,16-20,22-23,43H,4-6,8-9,11-12,14-15,21,24-42H2,1-3H3/b10-7+,16-13 +,19-17-,20-18+,23-22+/t43-/m0/s1 |
SMILES | C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/ CC)=O |
MS Spectra | - Predict MS/MS spectrum ([M+NH4]+) |
Status | Active (generated by computational methods) |