CHEBI:200037 - Platensimycin A2

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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 A2
ChEBI ID CHEBI:200037
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/c1-22(7-6-16(28)25-17-13(26)4-3-11(18(17)29)21(31)32)15(27)5-8-24-10-23(2)12(20(24)30)9-14(33-23)19(22)24/h3-5,8,12,14,19-20,26,29-30H,6-7,9-10H2,1-2H3,(H,25,28)(H,31,32)/t12?,14-,19?,20+,22+,23-,24-/m0/s1
InChIKey VAAYQILRAJLVSM-IFXSOFCXSA-N
SMILES O=C1C=C[C@@]23[C@H](O)C4C[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 A2 (CHEBI:200037) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
2,4-dihydroxy-3-[3-[(1R,5S,7S,9S,11R)-11-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]benzoic acid
Manual Xref Database
78440065 ChemSpider
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