CHEBI:29556 - chloroeremomycin

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ChEBI Name chloroeremomycin
ChEBI ID CHEBI:29556
Definition A complex glycopeptide antibiotic that is isolated from Amycolatopsis orientalis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C73H88Cl2N10O26
Net Charge 0
Average Mass 1592.43700
Monoisotopic Mass 1590.52483
InChI InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1
InChIKey XJHXLMVKYIVZTE-LOALFDMRSA-N
SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)c(Cl)c2
Metabolite of Species Details
Amycolatopsis orientalis (NCBI:txid31958) See: Naoki,J.Antibiotics,41,(1988),1506
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): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chloroeremomycin (CHEBI:29556) has functional parent vancomycin aglycone (CHEBI:47724)
chloroeremomycin (CHEBI:29556) has role antimicrobial agent (CHEBI:33281)
chloroeremomycin (CHEBI:29556) has role bacterial metabolite (CHEBI:76969)
chloroeremomycin (CHEBI:29556) is a disaccharide derivative (CHEBI:63353)
chloroeremomycin (CHEBI:29556) is a glycopeptide (CHEBI:24396)
chloroeremomycin (CHEBI:29556) is conjugate base of chloroeremomycin(2+) (CHEBI:85488)
Incoming chloroeremomycin(2+) (CHEBI:85488) is conjugate acid of chloroeremomycin (CHEBI:29556)
Synonym Source
Chloroorienticin A ChemIDplus
Manual Xrefs Databases
C00017622 KNApSAcK
C12014 KEGG COMPOUND
VAX PDBeChem
View more database links
Registry Numbers Types Sources
118395-73-6 CAS Registry Number ChemIDplus
7926880 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11294642 PubMed citation Europe PMC
25940955 PubMed citation Europe PMC
Last Modified
29 May 2015