CHEBI:85343 - 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose

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ChEBI Name 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose ChEBI ID CHEBI:85343 ChEBI ASCII Name 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose Definition A polyacyl α,α-trehalose derivative that is 2ʼ-sulfo-α,α-trehalose carrying a palmitoyl group at position 2 and three stearoyl groups at positions 3, 6 and 6' 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 C82H154O18S Net Charge 0 Average Mass 1460.15400 Monoisotopic Mass 1459.08559 InChI InChI=1S/C82H154O18S/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-71(83)93-67-69-75(87)77(89)79(100-101(90,91)92)81(95-69)99-82-80(98-74(86)66-62-58-54-50-45-39-32-28-24-20-16-12-8-4)78(97-73(85)65-61-57-53-49-46-42-38-35-31-27-23-19-15-11-7-3)76(88)70(96-82)68-94-72(84)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h69-70,75-82,87-89H,5-68H2,1-4H3,(H,90,91,92)/t69-,70-,75-,76-,77+,78+,79-,80-,81-,82-/m1/s1 InChIKey DFRNWNHASOQNJG-ORLFPALOSA-N SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@H](OS(O)(=O)=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-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose (CHEBI:85343) has role bacterial metabolite (CHEBI:76969) 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose (CHEBI:85343) is a polyacyl α,α-trehalose derivative (CHEBI:62552) 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose (CHEBI:85343) is a sulfoglycolipid (CHEBI:26829) 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose (CHEBI:85343) is a trehalose sulfate (CHEBI:60117) 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose (CHEBI:85343) is conjugate acid of 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose(1−) (CHEBI:84348) Incoming 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose(1−) (CHEBI:84348) is conjugate base of 2-palmitoyl-3,6,6ʼ-tristearoyl-2ʼ-sulfo-α,α-trehalose (CHEBI:85343) IUPAC Name 6-O-octadecanoyl-2-O-sulfo-α-D-glucopyranosyl 2-O-hexadecanoyl-3,6-di-O-octadecanoyl-α-D-glucopyranoside Citation Type Source 22194604 PubMed citation Europe PMC Last Modified 27 March 2015