CHEBI:223590 - Penilumamide K

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ChEBI Name Penilumamide K
ChEBI ID CHEBI:223590
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H18N6O7
Net Charge 0
Average Mass 442.388
Monoisotopic Mass 442.12370
InChI InChI=1S/C19H18N6O7/c1-8(26)12(16(28)22-10-6-4-3-5-9(10)18(30)31)23-15(27)11-7-20-14-13(21-11)17(29)24-19(32)25(14)2/h3-8,12,26H,1-2H3,(H,22,28)(H,23,27)(H,30,31)(H,24,29,32)/t8-,12+/m1/s1
InChIKey OOXAUJHQOAMJFY-PELKAZGASA-N
SMILES O=C1N(C2=NC=C(C(=O)N[C@H](C(=O)NC3=C(C(=O)O)C=CC=C3)[C@H](O)C)N=C2C(N1)=O)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Penilumamide K (CHEBI:223590) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
2-[[(2S,3R)-3-hydroxy-2-[(1-methyl-2,4-dioxopteridine-6-carbonyl)amino]butanoyl]amino]benzoic acid
Manual Xref Database
103746232 ChemSpider
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