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CHEBI:220692 - Emmyguyacin A

ChEBI IDCHEBI:220692
ChEBI NameEmmyguyacin A
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FormulaC36H64O16
Net Charge0
Average Mass752.892
Monoisotopic Mass752.41944
SMILESCCCCCC(CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O)OC(=O)C(=O)O
InChIInChI=1S/C36H64O16/c1-2-3-15-18-23(48-34(47)33(45)46)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-26(39)51-32-28(41)25(22-38)50-36(31(32)44)52-35-30(43)29(42)27(40)24(21-37)49-35/h23-25,27-32,35-38,40-44H,2-22H2,1H3,(H,45,46)/t23?,24-,25-,27+,28-,29+,30-,31-,32+,35-,36-/m1/s1
InChIKeyRFJAERMDCUNUEE-DIHKUZNTSA-N
ChEBI Ontology
Outgoing Relation(s)
Emmyguyacin A (CHEBI:220692) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
2-[22-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-22-oxodocosan-6-yl]oxy-2-oxoacetic acid
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