CHEBI:85647 - avilamycin A precursor

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ChEBI Name avilamycin A precursor ChEBI ID CHEBI:85647 Definition An oligosaccharide derivative that is produced by Streptomyces viridochromogenes and is an epimeric intermediate in the biosynthesis of avilamycin A. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C61H88Cl2O32 Net Charge 0 Average Mass 1404.23800 Monoisotopic Mass 1402.46358 InChI InChI=1S/C61H88Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-26,28-34,39-45,47-52,55-57,65-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,28-,29-,30-,31-,32+,33+,34+,39-,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56+,57+,58-,59?,60+,61-/m1/s1 InChIKey XIRGHRXBGGPPKY-RAYFNNEQSA-N SMILES COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@]4(O[C@H]3[C@H]2OC(=O)C(C)C)O[C@H](C)[C@](O)([C@@H]2OCO[C@@H]42)C(C)=O)[C@@H](OC)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@H]2C[C@@]3(C)OC4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@@H]3[C@@H](C)O2)[C@H]1O Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing avilamycin A precursor (CHEBI:85647) has role bacterial metabolite (CHEBI:76969) avilamycin A precursor (CHEBI:85647) is a benzoate ester (CHEBI:36054) avilamycin A precursor (CHEBI:85647) is a cyclic acetal (CHEBI:59770) avilamycin A precursor (CHEBI:85647) is a dichlorobenzene (CHEBI:23697) avilamycin A precursor (CHEBI:85647) is a oligosaccharide derivative (CHEBI:63563) avilamycin A precursor (CHEBI:85647) is a ortho ester (CHEBI:71989) avilamycin A precursor (CHEBI:85647) is a oxaspiro compound (CHEBI:37948) avilamycin A precursor (CHEBI:85647) is a phenols (CHEBI:33853) avilamycin A precursor (CHEBI:85647) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name (2R,3S,4R,6S)-6-{[(3aR,4R,4'R,5'S,6S,6'R,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5S,6S)-6-({(2R,3aS,3a'R,6S,6'R,7R,7'S,7aR,7a'R)-7'-acetyl-7'-hydroxy-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-2'H,4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy}-4'-hydroxy-4,6',7a-trimethyltetrahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-oxan]-5'-yl]oxy}-4-hydroxy-2-methyloxan-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate Citation Type Source 16537546 PubMed citation SUBMITTER Last Modified 06 February 2018