CHEBI:226707 - Penilumamide J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penilumamide J
ChEBI ID CHEBI:226707
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22N6O7S
Net Charge 0
Average Mass 502.500
Monoisotopic Mass 502.12707
InChI InChI=1S/C21H22N6O7S/c1-26-16-15(19(30)27(2)21(26)33)23-14(10-22-16)18(29)25-13(8-9-35(3)34)17(28)24-12-7-5-4-6-11(12)20(31)32/h4-7,10,13H,8-9H2,1-3H3,(H,24,28)(H,25,29)(H,31,32)/t13-,35?/m0/s1
InChIKey LGAQNSFMVZYPRH-VCHRQOTCSA-N
SMILES S(=O)(CC[C@H](NC(=O)C1=NC=2C(=O)N(C(=O)N(C2N=C1)C)C)C(=O)NC3=C(C(=O)O)C=CC=C3)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Penilumamide J (CHEBI:226707) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulinylbutanoyl]amino]benzoic acid