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CHEBI:8351 - pradimicin C

ChEBI IDCHEBI:8351
ChEBI Namepradimicin C
Stars
DefinitionA member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557).
Last Modified28 November 2014
DownloadsMolfile
FormulaC39H42N2O18
Net Charge0
Average Mass826.761
Monoisotopic Mass826.24326
SMILESCOc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)N[C@H](C)C(=O)O)c1O)[C@H](O[C@@H]1O[C@H](C)[C@H](N)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]1O)[C@H]3O)C2=O
InChIInChI=1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1
InChIKeyIHIIRQILYAXIOH-NUVDETJMSA-N
Species of MetaboliteComponentSourceComments
Actinomadura hibisca (ncbitaxon:68565) - PubMed (21119678) Strain: P157-2 (ATCC 53557).
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
pradimicin C (CHEBI:8351) has functional parent D-alanine (CHEBI:15570)
pradimicin C (CHEBI:8351) is a L-alanine derivative (CHEBI:83943)
pradimicin C (CHEBI:8351) is a aromatic ether (CHEBI:35618)
pradimicin C (CHEBI:8351) is a disaccharide derivative (CHEBI:63353)
pradimicin C (CHEBI:8351) is a polyketide (CHEBI:26188)
pradimicin C (CHEBI:8351) is a polyphenol (CHEBI:26195)
pradimicin C (CHEBI:8351) is a pradimicin (CHEBI:83230)
pradimicin C (CHEBI:8351) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R)-2-({[(5S,6S)-5-{[(2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}amino)propanoic acid
Synonym  Source
Benanomicin BChemIDplus
Manual XrefsDatabases
C06786KEGG COMPOUND
C00017595KNApSAcK
Registry NumbersSources
Reaxys:4645265Reaxys
CAS:116249-66-2KEGG COMPOUND
CAS:116249-66-2ChemIDplus
Citations