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CHEBI:212845 - 6-[3-acetamido-2-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid

ChEBI IDCHEBI:212845
ChEBI Name6-[3-acetamido-2-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H55N3O25
Net Charge0
Average Mass905.810
Monoisotopic Mass905.31246
SMILESCOC1OC(CO)C(O)C(OC2OC(C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(O)C(O)C2OC2OC(CO)C(O)C(OC3OC(C(=O)O)C(OC)C(O)C3O)C2NC(C)=O)C1NC(C)=O
InChIInChI=1S/C34H55N3O25/c1-8(40)13(29(50)51)37-28(49)25-18(45)19(46)26(34(60-25)59-22-14(35-9(2)41)31(55-5)56-11(6-38)16(22)43)61-32-15(36-10(3)42)23(17(44)12(7-39)57-32)58-33-21(48)20(47)24(54-4)27(62-33)30(52)53/h8,11-27,31-34,38-40,43-48H,6-7H2,1-5H3,(H,35,41)(H,36,42)(H,37,49)(H,50,51)(H,52,53)/t8-,11?,12?,13+,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,31?,32?,33?,34?/m1/s1
InChIKeyLZQJEZZROJJUQZ-QNDWQHKDSA-N
Species of MetaboliteComponentSourceComments
Colwellia psychrerythraea 34H (ncbitaxon:167879) - PubMed (25525681)
ChEBI Ontology
Outgoing Relation(s)
6-[3-acetamido-2-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid (CHEBI:212845) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
6-[3-acetamido-2-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid