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CHEBI:204649 - Actinotetraose K

Default Structure
ChEBI IDCHEBI:204649
ChEBI NameActinotetraose K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H74O26
Net Charge0
Average Mass1091.116
Monoisotopic Mass1090.44683
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/C)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C50H74O26/c1-11-21(7)42(60)65-19-28-30(53)32(55)40(74-47-35(58)34(57)37(26(17-51)67-47)71-44(62)23(9)13-3)49(69-28)76-50-41(33(56)31(54)29(70-50)20-66-43(61)22(8)12-2)75-48-36(59)39(73-45(63)24(10)14-4)38(27(18-52)68-48)72-46(64)25(15-5)16-6/h11-15,26-41,47-59H,16-20H2,1-10H3/b21-11+,22-12+,23-13+,24-14+,25-15+/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,47+,48+,49-,50-/m1/s1
InChIKeyLRNGEJFMROVYOC-NUCVMEDXSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (23418177)
ChEBI Ontology
Outgoing Relation(s)
Actinotetraose K (CHEBI:204649) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-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-5-hydroxy-2-(hydroxymethyl)-4-[(E)-2-methylbut-2-enoyl]oxyoxan-3-yl] (E)-2-ethylbut-2-enoate
Manual XrefsDatabases
78441007ChemSpider