CHEBI:84347 - 2-palmitoyl-3-stearoyl-2ʼ-sulfo-α,α-trehalose(1−)

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ChEBI Name 2-palmitoyl-3-stearoyl-2ʼ-sulfo-α,α-trehalose(1−) ChEBI ID CHEBI:84347 ChEBI ASCII Name 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose(1-) Definition An organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3-stearoyl-2ʼ-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 C46H85O16S Net Charge -1 Average Mass 926.22300 Monoisotopic Mass 925.55638 InChI InChI=1S/C46H86O16S/c1-3-5-7-9-11-13-15-17-18-20-22-23-25-27-29-31-37(49)59-42-40(52)36(34-48)58-46(61-45-43(62-63(54,55)56)41(53)39(51)35(33-47)57-45)44(42)60-38(50)32-30-28-26-24-21-19-16-14-12-10-8-6-4-2/h35-36,39-48,51-53H,3-34H2,1-2H3,(H,54,55,56)/p-1/t35-,36-,39-,40-,41+,42+,43-,44-,45-,46-/m1/s1 InChIKey XNPWCOIPZGRNBQ-HUWVXOONSA-M SMILES CCCCCCCCCCCCCCCCCC(=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 2-palmitoyl-3-stearoyl-2ʼ-sulfo-α,α-trehalose(1−) (CHEBI:84347) has role bacterial metabolite (CHEBI:76969) 2-palmitoyl-3-stearoyl-2ʼ-sulfo-α,α-trehalose(1−) (CHEBI:84347) is a organosulfate oxoanion (CHEBI:58958) 2-palmitoyl-3-stearoyl-2ʼ-sulfo-α,α-trehalose(1−) (CHEBI:84347) is conjugate base of 2-palmitoyl-3-stearoyl-2ʼ-sulfo-α,α-trehalose (CHEBI:85345) Incoming 2-palmitoyl-3-stearoyl-2ʼ-sulfo-α,α-trehalose (CHEBI:85345) is conjugate acid of 2-palmitoyl-3-stearoyl-2ʼ-sulfo-α,α-trehalose(1−) (CHEBI:84347) IUPAC Name 2-O-hexadecanoyl-3-O-octadecanoyl-α-D-glucopyranosyl 2-O-sulfonato-α-D-glucopyranoside Synonyms Sources 2-hexadecanoyl-3-octadecanoyl-2ʼ-sulfo-α,α-trehalose(1−) ChEBI 2-O-palmitoyl-3-O-stearoyl-2ʼ-O-sulfo-α,α-trehalose UniProt Citation Type Source 22194604 PubMed citation SUBMITTER Last Modified 14 June 2018