CHEBI:62113 - 3-O-hydroxyphthioceranoyl-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose

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ChEBI Name 3-O-hydroxyphthioceranoyl-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose ChEBI ID CHEBI:62113 ChEBI ASCII Name 3-O-hydroxyphthioceranoyl-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose Definition A sulfoglycolipid in which α,α-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with a hydroxyphthioceranoic acid (an octamethyl-branched dextrogyre C32 long chain where the stereochemistry at all methyl branches is L). 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 C68H130O17S Net Charge 0 Average Mass 1251.81500 Monoisotopic Mass 1250.90287 InChI InChI=1S/C68H130O17S/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-56(71)54(9)44-52(7)42-50(5)40-48(3)39-49(4)41-51(6)43-53(8)45-55(10)66(76)83-63-61(74)58(47-70)81-68(84-67-64(85-86(77,78)79)62(75)60(73)57(46-69)80-67)65(63)82-59(72)38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h48-58,60-65,67-71,73-75H,11-47H2,1-10H3,(H,77,78,79)/t48-,49+,50-,51+,52-,53+,54-,55+,56?,57-,58-,60-,61-,62+,63+,64-,65-,67-,68-/m1/s1 InChIKey JFLBEYZSJQKXCL-FOTLIKEISA-N SMILES CCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=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 ChEBI Ontology Outgoing 3-O-hydroxyphthioceranoyl-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62113) has functional parent α,α-trehalose (CHEBI:16551) 3-O-hydroxyphthioceranoyl-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62113) is a polyacyl α,α-trehalose derivative (CHEBI:62552) 3-O-hydroxyphthioceranoyl-2-O-palmitoyl-2'-O-sulfo-α,α-trehalose (CHEBI:62113) is a sulfoglycolipid (CHEBI:26829) IUPAC Name 3-O-[(2S,4S,6S,8S,10R,12R,14R,16R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl]-2-O-palmitoyl-α-D-glucopyranosyl 2-O-sulfo-α-D-glucopyranoside Synonym Source Ac2SGL ChEBI Citation Type Source 19454700 PubMed citation Europe PMC Last Modified 06 July 2011