CHEBI:225974 - Penilumamide C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 C
ChEBI ID CHEBI:225974
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24N6O8S
Net Charge 0
Average Mass 532.530
Monoisotopic Mass 532.13763
InChI InChI=1S/C22H24N6O8S/c1-27-17-16(20(31)28(2)22(27)33)24-15(11-23-17)19(30)26-14(9-10-37(4,34)35)18(29)25-13-8-6-5-7-12(13)21(32)36-3/h5-8,11,14H,9-10H2,1-4H3,(H,25,29)(H,26,30)/t14-/m0/s1
InChIKey RJLPKFRRHLDCSV-AWEZNQCLSA-N
SMILES S(=O)(=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
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 C (CHEBI:225974) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
methyl 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulonylbutanoyl]amino]benzoate
Manual Xref Database
34981205 ChemSpider
View more database links