Gabapentin
Everything that changed this flow. Back to the flow
dc350bde-16b0-4dc8-9a46-97f761529dcc
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'CI 945' (grade code), 'GOE 2450' (grade code), 'GOE 3450' (grade code), 'Go 3450' (grade code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=gabapentin||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60142-96-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94ef89732dd35452: {'60142-96-3': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['60142-96-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_42797']; candidate_pubchem_cids=[3150, 3446, 76688, 6453919, 6919078, 11194591]; selected_pubchem_cids=[3446]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 19,536 | bootstrap_labels | prefLabel | — | [{"@value":"gabapentin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"bri… | Bootstrapped prefLabel from legacy name field |
| 19,537 | bootstrap_labels | name | gabapentin | — | Purged legacy name field to enforce prefLabel usage |
| 19,538 | bootstrap_labels | synonyms | ["1-(Aminomethyl)-cyclohexaneacetic acid","1-(Aminomethyl)cyclohexaneacetic acid","2-[1-(aminomethyl)cyclohexyl]acetic… | [] | Removed legacy synonyms field in favor of structured labels |
| 181,093 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 181,094 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 219,698 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,528 | normalize_name_case | prefLabel | [{"@value":"gabapentin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"bri… | [{"@value":"Gabapentin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"bri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,334 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 245,335 | enrich_references | skos_definition | — | [{"@value":"A γ-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used… | Merged ChEBI/PubChem definitions into skos:definition |
| 245,336 | enrich_references | references | [] | [{"@id":"drugcentral:1264","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['60142-96-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_42797']; candidate_pubchem_cids=[3150, 3446, 76688, 6453919, 6919078, 11194591]; selected_pubchem_cids=[3446]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 253,556 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | rdkit_pre_consensus from 'C1CCC(CC1)(CC(=O)O)CN'; added: monoisotopic_mass |
| 256,919 | chebi_altlabels | altLabel | [] | [{"@value":"1-(Aminomethyl)cyclohexaneacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,348 | consensus_match | altLabel | [{"@value":"1-(Aminomethyl)cyclohexaneacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"1-(Aminomethyl)cyclohexaneacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | group_key=gabapentin||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=60142-96-3; added Common Chemistry CAS names as altLabel: (1-Aminomethyl-cyclohexyl)-acetic acid, 2-[1-(Aminomethyl)cyclohexyl]acetic acid, Bexal, CI 945, Convalis, Conventin, Cyclohexaneacetic acid, 1-(aminomethyl)-, Fanatrex, GOE 2450, GOE 3450, Gabamox, Gabapen, Gabarone, Generis, Go 3450, Gralise, Neuril, Neuronyin, Nupentin, Sigma G 154; object_uuid=fo-94ef89732dd35452 |
| 267,349 | consensus_match | cas_match_labels | — | {"60142-96-3":"exactMatch"} | group_key=gabapentin||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60142-96-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94ef89732dd35452: {'60142-96-3': 'exactMatch'} |
| 278,774 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-(Aminomethyl)cyclohexaneacetic acid' |
| 285,558 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | rdkit_post_consensus from 'NCC1(CC(=O)O)CCCCC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,189 | strip_catalogue_altlabels | altLabel | [{"@value":"1-(Aminomethyl)cyclohexaneacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"1-(Aminomethyl)cyclohexaneacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Removed 4 catalogue altLabel value(s): 'CI 945' (grade code), 'GOE 2450' (grade code), 'GOE 3450' (grade code), 'Go 3450' (grade code) |
| 371,604 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/dc350bde-16b0-… | associations resolved on the elementary layer |
| 393,162 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H17NO2"]… | typed the way the ontology types it |
| 401,959 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 401,960 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_78298","rdfs:label":"environmental contaminant","http://www.w3.org/2004/0… | the substance's answer, copied onto its flow |
PROV-O trail
21 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20261019T0712047113160000/19536 | prefLabel | ef:agent/bootstrap_labels | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v0 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v1 |
| ef:activity/change/20261019T0712047113160000/19537 | name | ef:agent/bootstrap_labels | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v1 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v2 |
| ef:activity/change/20261019T0712047113160000/19538 | synonyms | ef:agent/bootstrap_labels | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v2 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v3 |
| ef:activity/change/20261019T0712047113160000/181093 | context | ef:agent/default_context_mapping | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v3 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v4 |
| ef:activity/change/20261019T0712047113160000/181094 | context_iri | ef:agent/default_context_mapping | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v4 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v5 |
| ef:activity/change/20261019T0712047113160000/219698 | unit_iri | ef:agent/unit_normalization | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v5 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v6 |
| ef:activity/change/20261019T0712047113160000/225528 | prefLabel | ef:agent/normalize_name_case | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v6 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v7 |
| ef:activity/change/20261019T0712047113160000/245334 | properties | ef:agent/enrich_references | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v7 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v8 |
| ef:activity/change/20261019T0712047113160000/245335 | skos_definition | ef:agent/enrich_references | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v8 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v9 |
| ef:activity/change/20261019T0712047113160000/245336 | references | ef:agent/enrich_references | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v9 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v10 |
| ef:activity/change/20261019T0712047113160000/253556 | properties | ef:agent/rdkit_pre_consensus | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v10 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v11 |
| ef:activity/change/20261019T0712047113160000/256919 | altLabel | ef:agent/chebi_altlabels | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v11 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v12 |
| ef:activity/change/20261019T0712047113160000/267348 | altLabel | ef:agent/consensus_match | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v12 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v13 |
| ef:activity/change/20261019T0712047113160000/267349 | cas_match_labels | ef:agent/consensus_match | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v13 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v14 |
| ef:activity/change/20261019T0712047113160000/278774 | properties | ef:agent/opsin_iupac | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v14 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v15 |
| ef:activity/change/20261019T0712047113160000/285558 | properties | ef:agent/rdkit_post_consensus | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v15 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v16 |
| ef:activity/change/20261019T0712047113160000/291189 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v16 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v17 |
| ef:activity/change/20261019T0712047113160000/371604 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v17 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v18 |
| ef:activity/change/20261019T0712047113160000/393162 | properties | ef:agent/normalise_property_values | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v18 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v19 |
| ef:activity/change/20261019T0712047113160000/401959 | types | ef:agent/link_flows_to_their_substance | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v19 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v20 |
| ef:activity/change/20261019T0712047113160000/401960 | roles | ef:agent/link_flows_to_their_substance | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v20 | ef:flow/dc350bde-16b0-4dc8-9a46-97f761529dcc/v21 |