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CHEBI:34995 - teicoplanin A2-1

ChEBI IDCHEBI:34995
ChEBI Nameteicoplanin A2-1
Stars
ASCII Nameteicoplanin A2-1
DefinitionA teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group.
Last Modified20 March 2015
DownloadsMolfile
FormulaC88H95Cl2N9O33
Net Charge0
Average Mass1877.664
Monoisotopic Mass1875.54093
SMILES[H][C@@]12Cc3ccc(c(Cl)c3)Oc3cc4cc(c3N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)CC/C=C\CCCCC)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/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)131-78-75(114)72(111)57(31-100)127-85(78)99-67-55-26-40-27-56(67)126-52-18-14-38(24-47(52)90)77(132-87-68(92-34(2)103)73(112)70(109)58(32-101)129-87)69-84(121)97-66(86(122)123)45-29-42(105)30-54(128-88-76(115)74(113)71(110)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)98-69)95-83(120)65(40)96-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)94-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-66,68-78,85,87-88,99-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,116)(H,95,120)(H,96,119)(H,97,121)(H,98,118)(H,122,123)/b8-7-/t48-,57-,58-,59-,62-,63-,64+,65-,66+,68-,69+,70-,71-,72-,73-,74+,75+,76+,77-,78-,85-,87+,88+/m1/s1
InChIKeySGSMSXWFVXNLOG-UCNABHHISA-N
Species of MetaboliteComponentSourceComments
Actinoplanes teichomyceticus (ncbitaxon:1867) - PubMed (2977757)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
teicoplanin A2-1 (CHEBI:34995) has role bacterial metabolite (CHEBI:76969)
teicoplanin A2-1 (CHEBI:34995) is a teicoplanin A2 (CHEBI:34994)
Incoming Relation(s)
teicoplanin (CHEBI:29687) has part teicoplanin A2-1 (CHEBI:34995)
Synonyms  Source
Teicoplanin A2-1KEGG COMPOUND
Teichomycin A2 factor 1KEGG COMPOUND
(Z)-34-O-[2-(acetamido)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxo-4-decenyl)amino]-β-D-glucopyranosyl}-42-O-α-D-mannopyranosylristomycin A aglyconeChEBI
(Z)-34-O-(2-(acetylamino)-2-deoxy-β-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxo-4-decenyl)amino)-β-D-glucopyranosyl)-42-O-α-D-mannopyranosylristomycin A aglyconeChemIDplus
Manual XrefsDatabases
C13587KEGG COMPOUND
Registry NumbersSources
Reaxys:6261779Reaxys
CAS:91032-34-7KEGG COMPOUND
CAS:91032-34-7ChemIDplus