CHEBI:84042 - 2,3-dipalmitoyl-α,α-trehalose

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ChEBI Name 2,3-dipalmitoyl-α,α-trehalose ChEBI ID CHEBI:84042 ChEBI ASCII Name 2,3-dipalmitoyl-alpha,alpha-trehalose Definition A polyacyl α,α-trehalose carrying two palmitoyl (hexadecanoyl) substituents that are located at positions 2 and 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 C44H82O13 Net Charge 0 Average Mass 819.11410 Monoisotopic Mass 818.57554 InChI InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(47)55-41-38(50)34(32-46)54-44(57-43-40(52)39(51)37(49)33(31-45)53-43)42(41)56-36(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-46,49-52H,3-32H2,1-2H3/t33-,34-,37-,38-,39+,40-,41+,42-,43-,44-/m1/s1 InChIKey QOSPBHQULZCYBI-RPWXKBNISA-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]2O)[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-α,α-trehalose (CHEBI:84042) has functional parent hexadecanoic acid (CHEBI:15756) 2,3-dipalmitoyl-α,α-trehalose (CHEBI:84042) has role bacterial metabolite (CHEBI:76969) 2,3-dipalmitoyl-α,α-trehalose (CHEBI:84042) is a polyacyl α,α-trehalose (CHEBI:62547) IUPAC Name 2,3-di-O-hexadecanoyl-α-D-glucopyranosyl α-D-glucopyranoside Synonyms Sources 2,3-dihexadecanoyl-α,α-trehalose ChEBI 2-O,3-O-dihexadecanoyl-α,α-trehalose UniProt α,α-trehalose 2,3-dihexadecanoate ChEBI α,α-trehalose 2,3-dipalmitate ChEBI Registry Number Type Source 6170086 Reaxys Registry Number Reaxys Citation Type Source 19276083 PubMed citation SUBMITTER Last Modified 25 February 2015