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CHEBI:82287 - Trehalose-6,6'-dibehenate

Default Structure
ChEBI IDCHEBI:82287
ChEBI NameTrehalose-6,6'-dibehenate
Stars
DownloadsMolfile
FormulaC56H106O13
Net Charge0
Average Mass987.451
Monoisotopic Mass986.76334
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C56H106O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(57)65-43-45-49(59)51(61)53(63)55(67-45)69-56-54(64)52(62)50(60)46(68-56)44-66-48(58)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-56,59-64H,3-44H2,1-2H3/t45-,46-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1
InChIKeyZLJJDBSDZSZVTF-LXOQPCSCSA-N
ChEBI Ontology
Outgoing Relation(s)
Trehalose-6,6'-dibehenate (CHEBI:82287) is a O-acyl carbohydrate (CHEBI:52782)
Trehalose-6,6'-dibehenate (CHEBI:82287) is a fatty acid derivative (CHEBI:61697)
Manual XrefsDatabases
C19190KEGG COMPOUND
Registry NumbersSources
CAS:66758-35-8KEGG COMPOUND