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CHEBI:204541 - Platensimycin A4

ChEBI IDCHEBI:204541
ChEBI NamePlatensimycin A4
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@]23CC4C[C@H](O[C@@]4(CO)C2)C31
InChIInChI=1S/C24H27NO8/c1-22(6-5-17(29)25-18-14(27)3-2-13(19(18)30)21(31)32)16(28)4-7-23-9-12-8-15(20(22)23)33-24(12,10-23)11-26/h2-4,7,12,15,20,26-27,30H,5-6,8-11H2,1H3,(H,25,29)(H,31,32)/t12?,15-,20?,22+,23-,24+/m0/s1
InChIKeyNNGABSPACJBNCJ-BXWYOIKBSA-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 A4 (CHEBI:204541) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
2,4-dihydroxy-3-[3-[(1S,5S,7S,9S)-9-(hydroxymethyl)-5-methyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]benzoic acid