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

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ChEBI Name 2-O-palmitoyl-α,α-trehalose ChEBI ID CHEBI:84041 ChEBI ASCII Name 2-O-palmitoyl-alpha,alpha-trehalose Definition A monoacyl α,α-trehalose in which the acyl group is specified as palmitoyl (hexadecanoyl) and is located at position 2. 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 C28H52O12 Net Charge 0 Average Mass 580.70530 Monoisotopic Mass 580.34588 InChI InChI=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 InChIKey GLYYYZAOVVFGDK-FJUFGMPQSA-N SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 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-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 Sources 2-O-hexadecanoyl-α,α-trehalose UniProt 2-O-hexadecanoyl-α-D-glucosyl α-D-glucoside ChEBI α,α-trehalose 2-hexadecanoate ChEBI α,α-trehalose 2-palmitate ChEBI Registry Number Type Source 5185926 Reaxys Registry Number Reaxys Citation Type Source 19276083 PubMed citation SUBMITTER Last Modified 24 February 2015