CHEBI:218698 - Platensimycin A5

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Platensimycin A5
ChEBI ID CHEBI:218698
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H29NO8
Net Charge 0
Average Mass 459.495
Monoisotopic Mass 459.18932
InChI InChI=1S/C24H29NO8/c1-22(8-7-18(29)25-19-15(27)4-3-14(20(19)30)21(31)32)16-5-2-13-10-23(16,9-6-17(22)28)11-24(13,33)12-26/h3-4,6,9,13,16,26-27,30,33H,2,5,7-8,10-12H2,1H3,(H,25,29)(H,31,32)/t13?,16?,22-,23-,24+/m0/s1
InChIKey DOYWTHZZLFTNQH-DFOWYGNBSA-N
SMILES O=C1C=C[C@@]23C[C@@](O)(CO)C(C2)CCC3[C@@]1(CCC(=O)NC4=C(O)C(C(=O)O)=CC=C4O)C
Metabolite of Species Details
Streptomyces platensis (NCBI:txid58346) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Platensimycin A5 (CHEBI:218698) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
2,4-dihydroxy-3-[3-[(1S,5S,10S)-10-hydroxy-10-(hydroxymethyl)-5-methyl-4-oxo-5-tricyclo[7.2.1.01,6]dodec-2-enyl]propanoylamino]benzoic acid
Manual Xref Database
78440504 ChemSpider
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