EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:8351 - pradimicin C

Default Structure
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:
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.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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
C00017595KNApSAcK
C06786KEGG COMPOUND
Registry NumbersSources
Reaxys:4645265Reaxys
CAS:116249-66-2KEGG COMPOUND
CAS:116249-66-2ChemIDplus
Citations