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CHEBI:29556 - chloroeremomycin

ChEBI IDCHEBI:29556
ChEBI Namechloroeremomycin
Stars
DefinitionA complex glycopeptide antibiotic that is isolated from Amycolatopsis orientalis.
Last Modified29 May 2015
DownloadsMolfile
FormulaC73H88Cl2N10O26
Net Charge0
Average Mass1592.457
Monoisotopic Mass1590.52483
SMILESCN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
InChIInChI=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
InChIKeyXJHXLMVKYIVZTE-LOALFDMRSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis orientalis (ncbitaxon:31958) - Article (Naoki,J.Antibiotics,41,(1988),1506)
Roles Classification
Chemical Role:
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)
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 Relation(s)
chloroeremomycin(2+) (CHEBI:85488) is conjugate acid of chloroeremomycin (CHEBI:29556)
Synonym  Source
Chloroorienticin AChemIDplus
Manual XrefsDatabases
C12014KEGG COMPOUND
C00017622KNApSAcK
VAXPDBeChem
Registry NumbersSources
Reaxys:7926880Reaxys
CAS:118395-73-6ChemIDplus
Citations