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CHEBI:34999 - teicoplanin A3-1

ChEBI IDCHEBI:34999
ChEBI Nameteicoplanin A3-1
Stars
ASCII Nameteicoplanin A3-1
DefinitionA glycopeptide consisting of a macropolycyclic heptapeptide in which a phenolic hydroxy group has been converted to its α-D-mannoside while a secondary alcohol group has been converted to the corresponding 2-acetamido-2-deoxy-β-D-glucoside.
Last Modified23 March 2015
DownloadsMolfile
FormulaC72H68Cl2N8O28
Net Charge0
Average Mass1564.270
Monoisotopic Mass1562.35201
SMILES[H][C@@]12Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)c1cc(O)cc(c1)Oc1cc(ccc1O)[C@@H](N)C(=O)N2)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@]([H])(C(=O)O)NC3=O
InChIInChI=1S/C72H68Cl2N8O28/c1-24(85)76-55-60(93)58(91)47(22-83)108-71(55)110-63-28-5-9-42(37(74)15-28)106-46-18-30-17-45(57(46)90)105-41-8-2-25(10-36(41)73)11-38-64(96)78-52(29-12-31(86)19-33(13-29)104-43-16-26(3-7-40(43)89)50(75)65(97)77-38)67(99)80-53(30)68(100)79-51-27-4-6-39(88)34(14-27)49-35(54(70(102)103)81-69(101)56(63)82-66(51)98)20-32(87)21-44(49)107-72-62(95)61(94)59(92)48(23-84)109-72/h2-10,12-21,38,47-48,50-56,58-63,71-72,83-84,86-95H,11,22-23,75H2,1H3,(H,76,85)(H,77,97)(H,78,96)(H,79,100)(H,80,99)(H,81,101)(H,82,98)(H,102,103)/t38-,47-,48-,50-,51-,52+,53-,54+,55-,56+,58-,59-,60-,61+,62+,63-,71+,72+/m1/s1
InChIKeySUFIXUDUKRJOBH-JSMFNTJWSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes teichomyceticus (ncbitaxon:1867) - PubMed (2977757)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
teicoplanin A3-1 (CHEBI:34999) has role bacterial metabolite (CHEBI:76969)
teicoplanin A3-1 (CHEBI:34999) is a acetamides (CHEBI:22160)
teicoplanin A3-1 (CHEBI:34999) is a aromatic ether (CHEBI:35618)
teicoplanin A3-1 (CHEBI:34999) is a glycopeptide (CHEBI:24396)
teicoplanin A3-1 (CHEBI:34999) is a macrocycle (CHEBI:51026)
teicoplanin A3-1 (CHEBI:34999) is a monochlorobenzenes (CHEBI:83403)
teicoplanin A3-1 (CHEBI:34999) is a polyol (CHEBI:26191)
teicoplanin A3-1 (CHEBI:34999) is a polyphenol (CHEBI:26195)
Incoming Relation(s)
teicoplanin A2 (CHEBI:34994) has functional parent teicoplanin A3-1 (CHEBI:34999)
teicoplanin (CHEBI:29687) has part teicoplanin A3-1 (CHEBI:34999)
Synonyms  Source
Teicoplanin A3-1KEGG COMPOUND
34-O-[2-(acetamido)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-α-D-mannopyranosylristomycin A aglyconeChEBI
34-O-(2-(acetylamino)-2-deoxy-β-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-α-D-mannopyranosylristomycin A aglyconeChemIDplus
Manual XrefsDatabases
C13613KEGG COMPOUND
Registry NumbersSources
Reaxys:6267420Reaxys
CAS:93616-27-4KEGG COMPOUND
CAS:93616-27-4ChemIDplus
Citations