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CHEBI:222832 - Aspergillamide B

ChEBI IDCHEBI:222832
ChEBI NameAspergillamide B
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SubmitterMetaboLights
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FormulaC28H34N4O3
Net Charge0
Average Mass474.605
Monoisotopic Mass474.26309
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N/C=C/c1cnc2ccccc12
InChIInChI=1S/C28H34N4O3/c1-19(2)16-25(31-20(3)33)28(35)32(4)26(17-21-10-6-5-7-11-21)27(34)29-15-14-22-18-30-24-13-9-8-12-23(22)24/h5-15,18-19,25-26,30H,16-17H2,1-4H3,(H,29,34)(H,31,33)/b15-14+/t25-,26-/m0/s1
InChIKeyUTJKZLHQWWNPPP-VGKVPDMSSA-N
Species of MetaboliteComponentSourceComments
Pelomonasspecies (ncbitaxon:1909303) - DOI (10.1016/s0040-4020(98)00829-1)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aspergillamide B (CHEBI:222832) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-acetamido-N-[(2S)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N,4-dimethylpentanamide
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