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

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ChEBI Name 2ʼ,3ʼ-dipalmitoyl-2-sulfo-α,α-trehalose(1−) ChEBI ID CHEBI:84353 ChEBI ASCII Name 2',3'-dipalmitoyl-2-sulfo-alpha,alpha-trehalose(1-) Definition An organosulfate oxoanion that is the conjugate base of 2ʼ,3ʼ-dipalmitoyl-2-sulfo-α,α-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C44H81O16S Net Charge -1 Average Mass 898.17000 Monoisotopic Mass 897.52508 InChI InChI=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 InChIKey HSBOXJLYROSOFT-MWHATQTKSA-M SMILES CCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS([O-])(=O)=O)C1OC(=O)CCCCCCCCCCCCCCC Metabolite of Species Details Mycobacterium tuberculosis (NCBI:txid1773) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 2ʼ,3ʼ-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353) has role bacterial metabolite (CHEBI:76969) 2ʼ,3ʼ-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353) is a organosulfate oxoanion (CHEBI:58958) 2ʼ,3ʼ-dipalmitoyl-2-sulfo-α,α-trehalose(1−) (CHEBI:84353) is conjugate base of 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) Incoming 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) is conjugate acid of 2ʼ,3ʼ-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 Synonyms Sources 2ʼ,3ʼ-dihexadecanoyl-2-sulfo-α,α-trehalose(1−) ChEBI 2ʼ,3ʼ-O-dihexadecanoyl-2-O-sulfo-α,α-trehalose UniProt Citation Type Source 17592143 PubMed citation SUBMITTER Last Modified 27 March 2015