CHEBI:60093 - SL1278

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ChEBI Name SL1278 ChEBI ID CHEBI:60093 Definition A derivative of α,α-trehalose having an O-sulfo group at the 2 position and two long chain fatty acyl substituents at the 2'- and 3'-positions. Stars This entity has been manually annotated by the ChEBI Team. Submitter R. Stephan 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 C68H129O17S Net Charge -1 Average Mass 1250.80700 Monoisotopic Mass 1249.89560 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)/p-1/t48-,49+,50-,51+,52-,53+,54-,55+,56-,57-,58-,60-,61-,62+,63+,64-,65-,67-,68-/m1/s1 InChIKey JFLBEYZSJQKXCL-GSWBZTEGSA-M SMILES CCCCCCCCCCCCCCC[C@@H](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 SL1278 (CHEBI:60093) has functional parent α,α-trehalose (CHEBI:16551) SL1278 (CHEBI:60093) is a organosulfate oxoanion (CHEBI:58958) SL1278 (CHEBI:60093) is a polyacyl α,α-trehalose derivative (CHEBI:62552) SL1278 (CHEBI:60093) is a trehalose sulfate (CHEBI:60117) IUPAC Name 2-O-sulfonato-α-D-glucopyranosyl 3-O-[(2S,4S,6S,8S,10R,12R,14R,16R,17R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl]-2-O-hexadecanoyl-α-D-glucopyranoside Citation Type Source 17592143 PubMed citation SUBMITTER Last Modified 06 July 2011