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CHEBI:212088 - Platencin A4 (duplicated name, different than NPA005919)

ChEBI IDCHEBI:212088
ChEBI NamePlatencin A4 (duplicated name, different than NPA005919)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36N2O5
Net Charge0
Average Mass444.572
Monoisotopic Mass444.26242
SMILESC=C1CC23C=CC(=O)C(C)(CCCC(C)C(=O)NC(CCC(N)=O)C(=O)O)C2CC1CC3
InChIInChI=1S/C25H36N2O5/c1-15(22(30)27-18(23(31)32)6-7-21(26)29)5-4-10-24(3)19-13-17-8-11-25(19,14-16(17)2)12-9-20(24)28/h9,12,15,17-19H,2,4-8,10-11,13-14H2,1,3H3,(H2,26,29)(H,27,30)(H,31,32)
InChIKeyPVFFKTNEIWMZMI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/ol100342m)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Platencin A4 (duplicated name, different than NPA005919) (CHEBI:212088) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
5-amino-2-[[2-methyl-5-(5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl)pentanoyl]amino]-5-oxopentanoic acid