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CHEBI:226702 - Penilumamide H

ChEBI IDCHEBI:226702
ChEBI NamePenilumamide H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18N6O7
Net Charge0
Average Mass442.388
Monoisotopic Mass442.12370
SMILESCn1c(=O)c2nc(C(=O)N[C@@H](CO)C(=O)Nc3ccccc3C(=O)O)cnc2n(C)c1=O
InChIInChI=1S/C19H18N6O7/c1-24-14-13(17(29)25(2)19(24)32)21-11(7-20-14)15(27)23-12(8-26)16(28)22-10-6-4-3-5-9(10)18(30)31/h3-7,12,26H,8H2,1-2H3,(H,22,28)(H,23,27)(H,30,31)/t12-/m0/s1
InChIKeySWKVVWQFYYWCRZ-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32568536)
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 H (CHEBI:226702) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-3-hydroxypropanoyl]amino]benzoic acid