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CHEBI:208068 - 9-deoxy-seco-PF1233 B carboxylic acid

ChEBI IDCHEBI:208068
ChEBI Name9-deoxy-seco-PF1233 B carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28N2O5
Net Charge0
Average Mass436.508
Monoisotopic Mass436.19982
SMILESC=CC(C)(C)[C@]1(C[C@H](NC(=O)[C@@H](O)Cc2ccccc2)C(=O)O)C(=O)Nc2ccccc21
InChIInChI=1S/C25H28N2O5/c1-4-24(2,3)25(17-12-8-9-13-18(17)27-23(25)32)15-19(22(30)31)26-21(29)20(28)14-16-10-6-5-7-11-16/h4-13,19-20,28H,1,14-15H2,2-3H3,(H,26,29)(H,27,32)(H,30,31)/t19-,20-,25-/m0/s1
InChIKeyQZMIWNADYPPZTF-RLSLOFABSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies MEXU 27854 (ncbitaxon:2801328) - PubMed (28796494)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9-deoxy-seco-PF1233 B carboxylic acid (CHEBI:208068) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-3-[(3S)-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-indol-3-yl]propanoic acid
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62233294ChemSpider