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CHEBI:84353 - 2',3'-dipalmitoyl-2-sulfo-α,α-trehalose(1−)

ChEBI IDCHEBI:84353
ChEBI Name2',3'-dipalmitoyl-2-sulfo-α,α-trehalose(1−)
Stars
ASCII Name2',3'-dipalmitoyl-2-sulfo-alpha,alpha-trehalose(1-)
DefinitionAn organosulfate oxoanion that is the conjugate base of 2',3'-dipalmitoyl-2-sulfo-α,α-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3.
Last Modified27 March 2015
Submitternhn
DownloadsMolfile
FormulaC44H81O16S
Net Charge-1
Average Mass898.183
Monoisotopic Mass897.52508
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)[O-])O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C44H82O16S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(47)57-40-38(50)34(32-46)56-44(59-43-41(60-61(52,53)54)39(51)37(49)33(31-45)55-43)42(40)58-36(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-46,49-51H,3-32H2,1-2H3,(H,52,53,54)/p-1/t33-,34-,37-,38-,39+,40+,41-,42-,43-,44-/m1/s1
InChIKeyHSBOXJLYROSOFT-MWHATQTKSA-M
Species of MetaboliteComponentSourceComments
Mycobacterium tuberculosis (ncbitaxon:1773) - PubMed (22194604)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2',3'-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353) has role bacterial metabolite (CHEBI:76969)
2',3'-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353) is a organosulfate oxoanion (CHEBI:58958)
2',3'-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353) is conjugate base of 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115)
Incoming Relation(s)
2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) is conjugate acid of 2',3'-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353)
IUPAC Name 
2-O-sulfonato-α-D-glucopyranosyl 2,3-di-O-hexadecanoyl-α-D-glucopyranoside
Synonym  Source
2',3'-dihexadecanoyl-2-sulfo-α,α-trehalose(1−)ChEBI
UniProt Name  Source
2',3'-O-dihexadecanoyl-2-O-sulfo-α,α-trehaloseUniProt
Citations