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CHEBI:84041 - 2-O-palmitoyl-α,α-trehalose

ChEBI IDCHEBI:84041
ChEBI Name2-O-palmitoyl-α,α-trehalose
Stars
ASCII Name2-O-palmitoyl-alpha,alpha-trehalose
DefinitionA monoacyl α,α-trehalose in which the acyl group is specified as palmitoyl (hexadecanoyl) and is located at position 2.
Last Modified24 February 2015
Submitternhn
DownloadsMolfile
FormulaC28H52O12
Net Charge0
Average Mass580.712
Monoisotopic Mass580.34588
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(31)39-26-24(35)22(33)19(17-30)38-28(26)40-27-25(36)23(34)21(32)18(16-29)37-27/h18-19,21-30,32-36H,2-17H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKeyGLYYYZAOVVFGDK-FJUFGMPQSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium tuberculosis (ncbitaxon:1773) - PubMed (19276083)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-O-palmitoyl-α,α-trehalose (CHEBI:84041) has functional parent hexadecanoic acid (CHEBI:15756)
2-O-palmitoyl-α,α-trehalose (CHEBI:84041) has role bacterial metabolite (CHEBI:76969)
2-O-palmitoyl-α,α-trehalose (CHEBI:84041) is a monoacyl α,α-trehalose (CHEBI:62546)
IUPAC Name 
2-O-hexadecanoyl-α-D-glucopyranosyl α-D-glucopyranoside
Synonyms  Source
α,α-trehalose 2-palmitateChEBI
α,α-trehalose 2-hexadecanoateChEBI
2-O-hexadecanoyl-α-D-glucosyl α-D-glucosideChEBI
UniProt Name  Source
2-O-hexadecanoyl-α,α-trehaloseUniProt
Registry NumbersSources
Reaxys:5185926Reaxys
Citations