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CHEBI:201212 - Actinotetraose J

ChEBI IDCHEBI:201212
ChEBI NameActinotetraose J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H80O27
Net Charge0
Average Mass1173.218
Monoisotopic Mass1172.48870
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/C)[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/C55H80O27/c1-13-24(8)46(64)70-22-32-34(58)36(60)44(80-52-38(62)42(78-50(68)28(12)17-5)40(30(20-56)72-52)76-48(66)26(10)15-3)54(74-32)82-55-45(37(61)35(59)33(75-55)23-71-47(65)25(9)14-2)81-53-39(63)43(79-51(69)29(18-6)19-7)41(31(21-57)73-53)77-49(67)27(11)16-4/h13-18,30-45,52-63H,19-23H2,1-12H3/b24-13+,25-14+,26-15+,27-16+,28-17+,29-18+/t30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-,52+,53+,54-,55-/m1/s1
InChIKeyAMTFIMPMNYTAKH-FSHAHHAUSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (23418177)
ChEBI Ontology
Outgoing Relation(s)
Actinotetraose J (CHEBI:201212) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2S,3R,4R,5R,6R)-2-[(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-3-hydroxy-6-(hydroxymethyl)-5-[(E)-2-methylbut-2-enoyl]oxyoxan-4-yl] (E)-2-ethylbut-2-enoate
Manual XrefsDatabases
78440853ChemSpider