CHEBI:85251 - teicoplanin A2-2

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ChEBI Name teicoplanin A2-2
ChEBI ID CHEBI:85251
ChEBI ASCII Name teicoplanin A2-2
Definition A teicoplanin A2 that has 8-methylnonanoyl as the variable N-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C88H97Cl2N9O33
Net Charge 0
Average Mass 1879.65800
Monoisotopic Mass 1877.55658
InChI InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1
InChIKey GHOXVFYORXUCPY-PKMGYIMSSA-N
SMILES CC(C)CCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl
Metabolite of Species Details
Actinoplanes teichomyceticus (NCBI:txid1867) See: PubMed
Actinoplanes teichomyceticus (NCBI:txid1867) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
(via teicoplanin A2 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing teicoplanin A2-2 (CHEBI:85251) has role bacterial metabolite (CHEBI:76969)
teicoplanin A2-2 (CHEBI:85251) is a teicoplanin A2 (CHEBI:34994)
Incoming teicoplanin (CHEBI:29687) has part teicoplanin A2-2 (CHEBI:85251)
Synonyms Sources
34-O-(2-(acetylamino)-2-deoxy-β-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxononyl)amino)-β-D-glucopyranosyl)-42-O-α-D-mannopyranosylristomycin A aglycone ChemIDplus
34-O-[2-(acetamido)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(8-methyl-1-oxononyl)amino]-β-D-glucopyranosyl}-42-O-α-D-mannopyranosylristomycin A aglycone ChEBI
teichomycin A2 factor 2 ChemIDplus
teicoplanin A2-2 ChemIDplus
Manual Xref Database
US4542018 Patent
View more database links
Registry Numbers Types Sources
7508820 Reaxys Registry Number Reaxys
91032-26-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11833531 PubMed citation Europe PMC
25095906 PubMed citation Europe PMC
25147913 PubMed citation Europe PMC
Last Modified
20 March 2015