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INCHIKEY Does not seem to correspond to the correct compound Pubchem link to AAVal: https://pubchem.ncbi.nlm.nih.gov/substance/341427830 vs Pubchem link to related compound with INCHI key specified here: https://pubchem.ncbi.nlm.nih.gov/compound/N-_3-Amino-3-oxopropyl_-L-valine --> chemical structure is not the same so I don't know if these are the same compounds? feedback_epi team: Yes assigning Acrylamide as parent compound seems correct to me. Because Acrylamide is the substance a human is exposed to, and we can measure GAVAL and AAVAL to reflect that exposure. GA‑Val (GAVAL) and AA‑Val (AAVAL) — are both well‑established biomarkers of exposure to acrylamide and its metabolite glycidamide. These adducts form when the reactive compounds bind to the N‑terminal valine of hemoglobin. Core attribution - AAVAL (N‑(2‑carbamoylethyl)valine) reflects exposure to acrylamide, the parent compound. - GAVAL (N‑(2‑carbamoyl‑2‑hydroxyethyl)valine) reflects exposure to glycidamide, which is the epoxide metabolite formed when acrylamide is metabolized via CYP2E1. This relationship is well documented: acrylamide is converted to glycidamide, and both acrylamide and glycidamide form hemoglobin adducts that can be used to reconstruct exposure. source: https://pmc.ncbi.nlm.nih.gov/articles/PMC5696489/ Moreover, AA and GA react with plasma and other proteins, such as hemoglobin (Hb). Covalent binding to the N-terminal valine (Val) residue of Hb results in formation of N-(2-carbamoylethyl)valine (AAVal) and N-(2-carbamoyl-2-hydroxyethyl)valine (GAVal) Hb adducts that can be specifically cleaved off and derivatized to serve as biomarkers for long-term exposure monitoring (Bergmark et al. 1993; EFSA 2015; Fennell et al. 2005)." } ], "@type": [ "http://www.w3.org/2002/07/owl#Class" ], "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "N-(2-Carbamoylethyl)valine" }, { "@language": "nl-be", "@value": "N-(2-Carbamoylethyl)valine" } ], "http://www.w3.org/2000/01/rdf-schema#subClassOf": [ { "@id": "https://w3id.org/peh/terms/BioChemEntity" } ], "http://www.w3.org/2004/02/skos/core#exactMatch": [ { "@id": "https://identifiers.org/inchikey:BZEVQVJZLREGPF-ZETCQYMHSA-N" } ], "https://w3id.org/peh/terms/hasContextAlias": [ { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/_b1" } ], "https://w3id.org/peh/terms/hasGroupLabel": [ { "@value": "acrylamide" } ], "https://w3id.org/peh/terms/isMetaboliteOf": [ { "@id": "https://w3id.org/peh/biochementities/RAaPUxJ7c9O3NTj2VMFc257-nlOznX36OVxmj9XDMzu3k" } ] } ] }, { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/pubinfo", "@graph": [ { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M", "http://purl.org/dc/terms/license": [ { "@id": "https://creativecommons.org/licenses/by/4.0/" } ], "http://purl.org/nanopub/x/hasNanopubType": [ { "@id": "https://w3id.org/peh/terms/BioChemEntity" } ], "http://purl.org/nanopub/x/introduces": [ { "@id": "https://w3id.org/peh/biochementities/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M" } ], "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "N-(2-Carbamoylethyl)valine" } ], "http://www.w3.org/ns/prov#generatedAtTime": [ { "@value": "2026-06-30T20:44:32.879453+02:00", "@type": "http://www.w3.org/2001/XMLSchema#dateTime" } ], "http://www.w3.org/ns/prov#wasAttributedTo": [ { "@id": "https://orcid.org/0000-0002-1825-0097" } ], "https://w3id.org/np/o/ntemplate/wasCreatedFromTemplate": [ { "@id": "https://w3id.org/np/RAhSlIuuw5YqmMoyyvmy5GL3qIhs7sp14i6x2y3DCOhXM" } ] }, { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/sig", "http://purl.org/nanopub/x/hasAlgorithm": [ { "@value": "RSA" } ], "http://purl.org/nanopub/x/hasPublicKey": [ { "@value": "MIGfMA0GCSqGSIb3DQEBAQUAA4GNADCBiQKBgQD3RHyHR7WWKBYevw1qK86B6RVzI7oKlvghqXvbpOAX1KueDE6Itru34HRhrVy4OMLCRQWBE3VXktKdbgOxD3vC4cIxz5LX+XOgGWzv5WKSjOfXu/yIeJrzsuIkyHvw7/tToGrE0itJ1wGylJv+YieizmGvNiUHhP0J0+YFMNnvewIDAQAB" } ], "http://purl.org/nanopub/x/hasSignature": [ { "@value": "eojsQhr/esDw1B1hMCaI81mGj+lgXvpVXfKbn2Z5HYlaMketa3rJ8vgmXik/5qRE0EpNvUG9hc34k+j9P1ekJC+0bKhiFRNLtcGFcDv7AHn3dyYDZnmKxbRnbFpVy91+BGWgvBOyKSWVrjwYlhOfDja+pPaUTVmhXnVQWSn5aPc=" } ], "http://purl.org/nanopub/x/hasSignatureTarget": [ { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M" } ], "http://purl.org/nanopub/x/signedBy": [ { "@id": "https://orcid.org/0000-0002-1825-0097" } ] } ] }, { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/Head", "@graph": [ { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M", "http://www.nanopub.org/nschema#hasAssertion": [ { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/assertion" } ], "http://www.nanopub.org/nschema#hasProvenance": [ { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/provenance" } ], "http://www.nanopub.org/nschema#hasPublicationInfo": [ { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/pubinfo" } ], "@type": [ "http://www.nanopub.org/nschema#Nanopublication" ] } ] }, { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/provenance", "@graph": [ { "@id": "https://w3id.org/np/RAb_TM4fy-xWbn0RL5RY-nSNWDJmFaGeQiaYFxbeS5Y2M/assertion", "http://www.w3.org/ns/prov#generatedAtTime": [ { "@value": "2026-06-30T20:44:32.879453+02:00", "@type": "http://www.w3.org/2001/XMLSchema#dateTime" } ], "http://www.w3.org/ns/prov#wasAttributedTo": [ { "@id": "https://orcid.org/0000-0001-8327-0142" } ] } ] } ]