CHEBI:8349 - pradimicin A

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ChEBI Name pradimicin A
ChEBI ID CHEBI:8349
Definition A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H44N2O18
Net Charge 0
Average Mass 840.78000
Monoisotopic Mass 840.25891
InChI InChI=1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12-,13-,20-,26+,29+,30+,33-,34-,35+,36+,39+,40+/m1/s1
InChIKey WPICPWIIIBCXCV-NJGWPHBESA-N
SMILES CN[C@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)N[C@H](C)C(O)=O)c(C)cc23)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Actinomadura hibisca (NCBI:txid68565) of strain ATCC 53557 See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via pradimicin )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via pradimicin )
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via pradimicin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pradimicin A (CHEBI:8349) has functional parent D-alanine (CHEBI:15570)
pradimicin A (CHEBI:8349) is a p-quinones (CHEBI:25830)
pradimicin A (CHEBI:8349) is a L-alanine derivative (CHEBI:83943)
pradimicin A (CHEBI:8349) is a aromatic ether (CHEBI:35618)
pradimicin A (CHEBI:8349) is a carboxylic acid (CHEBI:33575)
pradimicin A (CHEBI:8349) is a disaccharide derivative (CHEBI:63353)
pradimicin A (CHEBI:8349) is a polyphenol (CHEBI:26195)
pradimicin A (CHEBI:8349) is a pradimicin (CHEBI:83230)
pradimicin A (CHEBI:8349) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2R)-2-({[(5S,6S)-1,6,9,14-tetrahydroxy-5-{[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}amino)propanoic acid
Manual Xref Database
C06784 KEGG COMPOUND
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Registry Numbers Types Sources
117704-65-1 CAS Registry Number ChemIDplus
4645458 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17050611 PubMed citation Europe PMC
21598364 PubMed citation Europe PMC
2167304 PubMed citation Europe PMC
21942374 PubMed citation Europe PMC
2199421 PubMed citation Europe PMC
2211352 PubMed citation Europe PMC
2345961 PubMed citation Europe PMC
23832850 PubMed citation Europe PMC
Last Modified
06 June 2016