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CHEBI:209505 - Actinotetraose hexatiglate

Default Structure
ChEBI IDCHEBI:209505
ChEBI NameActinotetraose hexatiglate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H78O27
Net Charge0
Average Mass1159.191
Monoisotopic Mass1158.47305
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/C)[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/C54H78O27/c1-13-23(7)45(63)69-21-31-33(57)35(59)43(79-51-37(61)41(77-49(67)27(11)17-5)39(29(19-55)71-51)75-47(65)25(9)15-3)53(73-31)81-54-44(36(60)34(58)32(74-54)22-70-46(64)24(8)14-2)80-52-38(62)42(78-50(68)28(12)18-6)40(30(20-56)72-52)76-48(66)26(10)16-4/h13-18,29-44,51-62H,19-22H2,1-12H3/b23-13+,24-14+,25-15+,26-16+,27-17+,28-18+/t29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,51+,52+,53-,54-/m1/s1
InChIKeyBHAUYHDLIURVPC-ZNKXWPPQSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (10048568)
ChEBI Ontology
Outgoing Relation(s)
Actinotetraose hexatiglate (CHEBI:209505) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4S,5R,6R)-6-[(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-3,4-dihydroxy-5-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxyoxan-2-yl]methyl (E)-2-methylbut-2-enoate
Manual XrefsDatabases
9019190ChemSpider