EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61779 - α,α-trehalose dicarboxylic acid bis-N,N-dioctadecylamide

ChEBI IDCHEBI:61779
ChEBI Nameα,α-trehalose dicarboxylic acid bis-N,N-dioctadecylamide
Stars
ASCII Namealpha,alpha-trehalose dicarboxylic acid bis-N,N-dioctadecylamide
DefinitionA dicarboxylic acid diamide obtained by formal condensation of one molecule of α,α-trehalose dicarboxylic acid and two molecules of dioctadecylamine.
Last Modified13 December 2011
SubmitterSteve
DownloadsMolfile
FormulaC84H164N2O11
Net Charge0
Average Mass1378.239
Monoisotopic Mass1377.23351
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)[C@H]1O[C@H](O[C@H]2O[C@H](C(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C84H164N2O11/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-85(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)81(93)79-75(89)73(87)77(91)83(95-79)97-84-78(92)74(88)76(90)80(96-84)82(94)86(71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h73-80,83-84,87-92H,5-72H2,1-4H3/t73-,74-,75-,76-,77+,78+,79-,80-,83+,84+/m0/s1
InChIKeyIAXKYZJFTUDGQM-WUIFUTIASA-N
ChEBI Ontology
Outgoing Relation(s)
α,α-trehalose dicarboxylic acid bis-N,N-dioctadecylamide (CHEBI:61779) is a dicarboxylic acid diamide (CHEBI:35779)
α,α-trehalose dicarboxylic acid bis-N,N-dioctadecylamide (CHEBI:61779) is a glycosyl glycoside derivative (CHEBI:63356)
IUPAC Name 
(2S,3S,4S,5R,6R,2'S,3'S,4'S,5'R,6'R)-6,6'-oxybis(3,4,5-trihydroxy-N,N-dioctadecyltetrahydro-2H-pyran-2-carboxamide)
Citations