EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205403 - Penilumamide D

ChEBI IDCHEBI:205403
ChEBI NamePenilumamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19N7O5
Net Charge0
Average Mass425.405
Monoisotopic Mass425.14477
SMILESC[C@H](NC(=O)c1cnc2c(n1)c(=O)n(C)c(=O)n2C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H19N7O5/c1-9(16(28)24-11-7-5-4-6-10(11)14(20)27)22-17(29)12-8-21-15-13(23-12)18(30)26(3)19(31)25(15)2/h4-9H,1-3H3,(H2,20,27)(H,22,29)(H,24,28)/t9-/m0/s1
InChIKeyIQOHPUBEUCHHAI-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25001296)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penilumamide D (CHEBI:205403) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
N-[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl]-1,3-dimethyl-2,4-dioxopteridine-6-carboxamide
Manual XrefsDatabases
34981999ChemSpider