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CHEBI:209260 - Actinotetraose L

ChEBI IDCHEBI:209260
ChEBI NameActinotetraose L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H82O27
Net Charge0
Average Mass1187.245
Monoisotopic Mass1186.50435
SMILESC/C=C(\C)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)/C(C)=C/C)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C(=C/C)CC)[C@H](OC(=O)/C(=C/C)CC)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C(C)=C/C)[C@H](OC(=O)/C(C)=C/C)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C56H82O27/c1-13-25(9)47(65)71-23-33-35(59)37(61)45(81-53-39(63)43(79-50(68)28(12)16-4)41(31(21-57)73-53)77-49(67)27(11)15-3)55(75-33)83-56-46(38(62)36(60)34(76-56)24-72-48(66)26(10)14-2)82-54-40(64)44(80-52(70)30(19-7)20-8)42(32(22-58)74-54)78-51(69)29(17-5)18-6/h13-17,19,31-46,53-64H,18,20-24H2,1-12H3/b25-13+,26-14+,27-15+,28-16+,29-17+,30-19+/t31-,32-,33-,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,53+,54+,55-,56-/m1/s1
InChIKeyNPZNDVYKCWJHPC-FDIYFUSISA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (26218137)
ChEBI Ontology
Outgoing Relation(s)
Actinotetraose L (CHEBI:209260) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-3-yl]oxy-4-[(E)-2-ethylbut-2-enoyl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-2-ethylbut-2-enoate
Manual XrefsDatabases
78441481ChemSpider