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CHEBI:199410 - Platensimycin A3

ChEBI IDCHEBI:199410
ChEBI NamePlatensimycin A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO8
Net Charge0
Average Mass457.479
Monoisotopic Mass457.17367
SMILESC[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@@]4(O)C[C@H](O[C@@]4(C)C2)C31
InChIInChI=1S/C24H27NO8/c1-21(7-6-16(28)25-17-13(26)4-3-12(18(17)29)20(30)31)15(27)5-8-23-10-22(2)24(32,11-23)9-14(33-22)19(21)23/h3-5,8,14,19,26,29,32H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t14-,19?,21+,22-,23+,24-/m0/s1
InChIKeyILKMEZLYLINVRK-GCANHJISSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - 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 A3 (CHEBI:199410) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
2,4-dihydroxy-3-[3-[(1S,5S,7S,9S,10R)-10-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]benzoic acid