CHEBI:34997 - teicoplanin A2-4

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ChEBI Name teicoplanin A2-4
ChEBI ID CHEBI:34997
ChEBI ASCII Name teicoplanin A2-4
Definition A teicoplanin A2 that has 8-methyldecanoyl as the variable N-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C89H99Cl2N9O33
Net Charge 0
Average Mass 1893.68500
Monoisotopic Mass 1891.57223
InChI InChI=1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1
InChIKey KSPOYQQCANXEDC-WNTLLCOUSA-N
SMILES CCC(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
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 A2-4 (CHEBI:34997) has role bacterial metabolite (CHEBI:76969)
teicoplanin A2-4 (CHEBI:34997) is a teicoplanin A2 (CHEBI:34994)
Incoming teicoplanin (CHEBI:29687) has part teicoplanin A2-4 (CHEBI:34997)
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-oxodecyl)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-oxodecyl)amino]-β-D-glucopyranosyl}-42-O-α-D-mannopyranosylristomycin A aglycone ChEBI
Teichomycin A2 factor 4 KEGG COMPOUND
Teicoplanin A2-4 KEGG COMPOUND
Manual Xref Database
C13610 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
6261978 Reaxys Registry Number Reaxys
91032-37-0 CAS Registry Number ChemIDplus
Last Modified
20 March 2015