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CHEBI:221010 - Nerfilin I

ChEBI IDCHEBI:221010
ChEBI NameNerfilin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37N3O5
Net Charge0
Average Mass495.620
Monoisotopic Mass495.27332
SMILESCC(C)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C28H37N3O5/c1-18(2)14-25(34)30-24(16-21-10-12-23(33)13-11-21)27(35)31-26(19(3)4)28(36)29-22(17-32)15-20-8-6-5-7-9-20/h5-13,17-19,22,24,26,33H,14-16H2,1-4H3,(H,29,36)(H,30,34)(H,31,35)/t22-,24-,26-/m0/s1
InChIKeyMWFNFXJJXCNWSP-GVUKDKGQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8557608)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nerfilin I (CHEBI:221010) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
Manual XrefsDatabases
8116918ChemSpider