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CHEBI:211377 - Psychrophilin B

ChEBI IDCHEBI:211377
ChEBI NamePsychrophilin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22N4O5
Net Charge0
Average Mass434.452
Monoisotopic Mass434.15902
SMILESCC(C)[C@@H]1NC(=O)[C@@H]([N+](=O)[O-])Cc2cn(c3ccccc23)C(=O)c2ccccc2NC1=O
InChIInChI=1S/C23H22N4O5/c1-13(2)20-22(29)24-17-9-5-3-8-16(17)23(30)26-12-14(15-7-4-6-10-18(15)26)11-19(27(31)32)21(28)25-20/h3-10,12-13,19-20H,11H2,1-2H3,(H,24,29)(H,25,28)/t19-,20-/m0/s1
InChIKeyCHXSSXCFGPZMCJ-PMACEKPBSA-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 B (CHEBI:211377) is a dipeptide (CHEBI:46761)
IUPAC Name 
(11S,14S)-14-nitro-11-propan-2-yl-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
9491427ChemSpider