Gabapentin
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-94ef89732dd35452
Changes
58| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 19,536 | bootstrap_labels | prefLabel | — | [{"@value":"gabapentin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | 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 |
| 23,697 | bootstrap_labels | synonyms | ["gabapentin","1-(aminomethyl)-cyclohexylaceticacid","1-(aminomethyl)cyclohexaneaceticacid","2-[1-(aminomethyl)cyclohex… | [] | Removed legacy synonyms field in favor of structured labels |
| 63,262 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 63,263 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 87,032 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 87,033 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 104,448 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 104,449 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 118,260 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 118,261 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 120,112 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 120,113 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 126,424 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 126,425 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 140,496 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 140,497 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 148,338 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 148,339 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 148,664 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 148,665 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 156,174 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 156,175 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 179,624 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 179,625 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 181,090 | 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 |
| 181,091 | 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 |
| 192,694 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 192,695 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 219,695 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,524 | normalize_name_case | prefLabel | [{"@value":"gabapentin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Gabapentin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,330 | 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) |
| 245,331 | 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 |
| 245,332 | 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 |
| 253,549 | 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 |
| 256,911 | 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) |
| 267,344 | 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 |
| 267,345 | 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'} |
| 278,766 | 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' |
| 285,550 | 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 |
| 291,174 | 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) |
| 312,649 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/28c77584-118a-… | associations resolved on the elementary layer |
| 324,532 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d3179f1-e1ee-… | associations resolved on the elementary layer |
| 333,221 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5c19117f-704a-… | associations resolved on the elementary layer |
| 340,128 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/730d5112-7fef-… | associations resolved on the elementary layer |
| 341,054 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7616acdd-aede-… | associations resolved on the elementary layer |
| 344,214 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8101cc8f-cdb7-… | associations resolved on the elementary layer |
| 351,249 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/98bad98b-cc37-… | associations resolved on the elementary layer |
| 355,191 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a590e347-8225-… | associations resolved on the elementary layer |