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CHEBI:213904 - Psychrophilin C

ChEBI IDCHEBI:213904
ChEBI NamePsychrophilin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18N4O5
Net Charge0
Average Mass406.398
Monoisotopic Mass406.12772
SMILESC[C@@H]1NC(=O)[C@@H]([N+](=O)[O-])Cc2cn(c3ccccc23)C(=O)c2ccccc2NC1=O
InChIInChI=1S/C21H18N4O5/c1-12-19(26)23-16-8-4-2-7-15(16)21(28)24-11-13(14-6-3-5-9-17(14)24)10-18(25(29)30)20(27)22-12/h2-9,11-12,18H,10H2,1H3,(H,22,27)(H,23,26)/t12-,18-/m0/s1
InChIKeyBGXUVIBODLPBMB-SGTLLEGYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies YT-2016 (ncbitaxon:1813945) - PubMed (15568799)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Psychrophilin C (CHEBI:213904) is a dipeptide (CHEBI:46761)
IUPAC Name 
(11S,14S)-11-methyl-14-nitro-1,9,12-triazatetracyclo[14.6.1.03,8.017,22]tricosa-3,5,7,16(23),17,19,21-heptaene-2,10,13-trione
Manual XrefsDatabases
9581992ChemSpider