CHEBI:202532 - Aspergilumamide A

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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 Aspergilumamide A
ChEBI ID CHEBI:202532
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23N7O7
Net Charge 0
Average Mass 497.468
Monoisotopic Mass 497.16590
InChI InChI=1S/C22H23N7O7/c1-28-17-16(20(33)29(2)22(28)35)25-14(10-24-17)19(32)27-13(8-9-15(23)30)18(31)26-12-7-5-4-6-11(12)21(34)36-3/h4-7,10,13H,8-9H2,1-3H3,(H2,23,30)(H,26,31)(H,27,32)/t13-/m0/s1
InChIKey MEICOTRNKNPKQV-ZDUSSCGKSA-N
SMILES O=C1N(C(=O)C=2N=C(C(=O)N[C@H](C(=O)NC3=C(C(=O)OC)C=CC=C3)CCC(=O)N)C=NC2N1C)C
Metabolite of Species Details
Aspergillusspecies 33241 (NCBI:txid1464154) See: DOI
ChEBI Ontology
Outgoing Aspergilumamide A (CHEBI:202532) is a pteridines (CHEBI:26373)
IUPAC Name
methyl 2-[[(2S)-5-amino-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-5-oxopentanoyl]amino]benzoate
Manual Xref Database
35516886 ChemSpider
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