CHEBI:197982 - Penilumamide

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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
ChEBI ID CHEBI:197982
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24N6O7S
Net Charge 0
Average Mass 516.530
Monoisotopic Mass 516.14272
InChI InChI=1S/C22H24N6O7S/c1-27-17-16(20(31)28(2)22(27)33)24-15(11-23-17)19(30)26-14(9-10-36(4)34)18(29)25-13-8-6-5-7-12(13)21(32)35-3/h5-8,11,14H,9-10H2,1-4H3,(H,25,29)(H,26,30)/t14-,36?/m0/s1
InChIKey HBYOXRNNWKRVRJ-AWQBSFGZSA-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)OC)C=CC=C3)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) 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 (CHEBI:197982) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
methyl 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulinylbutanoyl]amino]benzoate
Manual Xref Database
27025365 ChemSpider
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