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CHEBI:218698 - Platensimycin A5

ChEBI IDCHEBI:218698
ChEBI NamePlatensimycin A5
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29NO8
Net Charge0
Average Mass459.495
Monoisotopic Mass459.18932
SMILESC[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@@]23CC(CCC21)[C@](O)(CO)C3
InChIInChI=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
InChIKeyDOYWTHZZLFTNQH-DFOWYGNBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (21214253)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
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78440504ChemSpider