CHEBI:62115 - 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose

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ChEBI Name 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose ChEBI ID CHEBI:62115 ChEBI ASCII Name 2,3-dipalmitoyl-2'-sulfo-alpha,alpha-trehalose Definition A sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is diacylated at the 2- and 3-positions with palmitic acid. Stars This entity has been manually annotated by the ChEBI Team. 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 C44H82O16S Net Charge 0 Average Mass 899.17700 Monoisotopic Mass 898.53236 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)/t33-,34-,37-,38-,39+,40+,41-,42-,43-,44-/m1/s1 InChIKey HSBOXJLYROSOFT-MWHATQTKSA-N SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=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 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) has functional parent α,α-trehalose (CHEBI:16551) 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) has role bacterial metabolite (CHEBI:76969) 2,3-dipalmitoyl-2'-sulfo-α,α-trehalose (CHEBI:62115) is a sulfoglycolipid (CHEBI:26829) 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) Incoming 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) IUPAC Name 2,3-di-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside Synonym Source 2,3-di-O-palmitoyl-2'-O-sulfo-α,α-trehalose ChEBI Citation Type Source 19454700 PubMed citation Europe PMC Last Modified 27 March 2015