CHEBI:199410 - Platensimycin A3

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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 A3
ChEBI ID CHEBI:199410
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H27NO8
Net Charge 0
Average Mass 457.479
Monoisotopic Mass 457.17367
InChI InChI=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
InChIKey ILKMEZLYLINVRK-GCANHJISSA-N
SMILES O=C1C=C[C@@]23C[C@@]4(O)C[C@@H](C2[C@@]1(CCC(=O)NC5=C(O)C(C(=O)O)=CC=C5O)C)O[C@]4(C3)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 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