CHEBI:34995 - teicoplanin A2-1

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ChEBI Name teicoplanin A2-1
ChEBI ID CHEBI:34995
ChEBI ASCII Name teicoplanin A2-1
Definition A teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C88H95Cl2N9O33
Net Charge 0
Average Mass 1877.64200
Monoisotopic Mass 1875.54093
InChI InChI=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
InChIKey SGSMSXWFVXNLOG-UCNABHHISA-N
SMILES CCCCC\C=C/CCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Nc1c2Oc3ccc(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 A2-1 (CHEBI:34995) has role bacterial metabolite (CHEBI:76969)
teicoplanin A2-1 (CHEBI:34995) is a teicoplanin A2 (CHEBI:34994)
Incoming teicoplanin (CHEBI:29687) has part teicoplanin A2-1 (CHEBI:34995)
Synonyms Sources
(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 aglycone ChemIDplus
(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 aglycone ChEBI
Teichomycin A2 factor 1 KEGG COMPOUND
Teicoplanin A2-1 KEGG COMPOUND
Manual Xref Database
C13587 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
6261779 Reaxys Registry Number Reaxys
91032-34-7 CAS Registry Number ChemIDplus
Last Modified
20 March 2015