Methotrexate
Everything that changed this flow. Back to the flow
261e1b24-e3a5-4044-abc4-3f3589ca970d
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'CL 14377' (grade code), 'EMT 25299' (grade code), 'NSC 740' (registry code), 'R 9985' (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=methotrexate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'59-05-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0e3b25bb59eefc9f: {'59-05-2': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['59-05-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_44185']; candidate_pubchem_cids=[4112, 126941, 165528, 274858, 24207740, 24906324, 45157423, 176453321]; selected_pubchem_cids=[126941]; 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 |
| 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 |
|---|---|---|---|---|---|
| 16,732 | bootstrap_labels | prefLabel | — | [{"@value":"methotrexate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 16,733 | bootstrap_labels | name | methotrexate | — | Purged legacy name field to enforce prefLabel usage |
| 16,734 | bootstrap_labels | synonyms | ["organic","methotrexate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 61,738 | 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 |
| 61,739 | 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 |
| 218,828 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,921 | normalize_name_case | prefLabel | [{"@value":"methotrexate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Methotrexate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,906 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,907 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,908 | enrich_references | references | [] | [{"@id":"beilstein:70669","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['59-05-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_44185']; candidate_pubchem_cids=[4112, 126941, 165528, 274858, 24207740, 24906324, 45157423, 176453321]; selected_pubchem_cids=[126941]; 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 |
| 252,847 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | rdkit_pre_consensus from 'CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O'; added: inchi2d_string, monoisotopic_mass |
| 256,592 | chebi_altlabels | altLabel | [] | [{"@value":"4-amino-10-methylfolic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,672 | consensus_match | altLabel | [{"@value":"4-amino-10-methylfolic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"4-amino-10-methylfolic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=methotrexate||dimension=Environmental > media=Air > strata=Long-term; cas=59-05-2; added Common Chemistry CAS names as altLabel: (+)-Amethopterin, (2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid, 4-Amino-<em>N</em><sup>10</sup>-methylfolic acid, 4-Amino-<em>N</em><sup>10</sup>-methylpteroylglutamic acid, <em>N</em>-[<em>p</em>-[[2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-<span class="text-smallcaps">L</span>-(+)-glutamic acid, <span class="text-smallcaps">L</span>-Amethopterin, <span class="text-smallcaps">L</span>-Glutamic acid, <em>N</em>-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, <span class="text-smallcaps">L</span>-Methotrexate, Amethopterin, Amethopterine, Antifolan, Beltrax, CL 14377, Caditrex, Cytotrex, Dermotrex, EMT 25299, Emthexate PF, Emtrexate, Folex, Folex PFS, Folitrax, Glutamic acid, <em>N</em>-[<em>p</em>-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, <span class="text-smallcaps">L</span>-(+)-, Imutrex, Jylamvo, LMTX, MeSH ID: D008727, Merex, Metatrexan, Methocel, Methocip, Methotrexat-Ebewe, Methotrexate LPF, Methoxtrexate, Methylaminopterin, Metorex, Metrex, Mexate, Mexate-AQ, NSC 740, Nordimet, Oncotrex, Otrexup, R 9985, Rasuvo, Remtrex, Trilem, Zexate; object_uuid=fo-0e3b25bb59eefc9f |
| 268,673 | consensus_match | cas_match_labels | — | {"59-05-2":"exactMatch"} | group_key=methotrexate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'59-05-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0e3b25bb59eefc9f: {'59-05-2': 'exactMatch'} |
| 278,052 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid' |
| 284,782 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | rdkit_post_consensus from 'CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,654 | strip_catalogue_altlabels | altLabel | [{"@value":"4-amino-10-methylfolic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"4-amino-10-methylfolic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Removed 4 catalogue altLabel value(s): 'CL 14377' (grade code), 'EMT 25299' (grade code), 'NSC 740' (registry code), 'R 9985' (grade code) |
| 311,888 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/261e1b24-e3a5-… | associations resolved on the elementary layer |
| 392,407 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | typed the way the ontology types it |
| 400,860 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,861 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H22N8O5… | 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/20260822T0600486828500000/16732 | prefLabel | ef:agent/bootstrap_labels | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v0 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v1 |
| ef:activity/change/20260822T0600486828500000/16733 | name | ef:agent/bootstrap_labels | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v1 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v2 |
| ef:activity/change/20260822T0600486828500000/16734 | synonyms | ef:agent/bootstrap_labels | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v2 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v3 |
| ef:activity/change/20260822T0600486828500000/61738 | context | ef:agent/default_context_mapping | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v3 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v4 |
| ef:activity/change/20260822T0600486828500000/61739 | context_iri | ef:agent/default_context_mapping | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v4 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v5 |
| ef:activity/change/20260822T0600486828500000/218828 | unit_iri | ef:agent/unit_normalization | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v5 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v6 |
| ef:activity/change/20260822T0600486828500000/224921 | prefLabel | ef:agent/normalize_name_case | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v6 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v7 |
| ef:activity/change/20260822T0600486828500000/242906 | properties | ef:agent/enrich_references | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v7 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v8 |
| ef:activity/change/20260822T0600486828500000/242907 | skos_definition | ef:agent/enrich_references | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v8 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v9 |
| ef:activity/change/20260822T0600486828500000/242908 | references | ef:agent/enrich_references | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v9 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v10 |
| ef:activity/change/20260822T0600486828500000/252847 | properties | ef:agent/rdkit_pre_consensus | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v10 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v11 |
| ef:activity/change/20260822T0600486828500000/256592 | altLabel | ef:agent/chebi_altlabels | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v11 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v12 |
| ef:activity/change/20260822T0600486828500000/268672 | altLabel | ef:agent/consensus_match | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v12 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v13 |
| ef:activity/change/20260822T0600486828500000/268673 | cas_match_labels | ef:agent/consensus_match | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v13 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v14 |
| ef:activity/change/20260822T0600486828500000/278052 | properties | ef:agent/opsin_iupac | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v14 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v15 |
| ef:activity/change/20260822T0600486828500000/284782 | properties | ef:agent/rdkit_post_consensus | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v15 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v16 |
| ef:activity/change/20260822T0600486828500000/290654 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v16 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v17 |
| ef:activity/change/20260822T0600486828500000/311888 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v17 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v18 |
| ef:activity/change/20260822T0600486828500000/392407 | properties | ef:agent/normalise_property_values | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v18 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v19 |
| ef:activity/change/20260822T0600486828500000/400860 | types | ef:agent/link_flows_to_their_substance | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v19 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v20 |
| ef:activity/change/20260822T0600486828500000/400861 | properties | ef:agent/link_flows_to_their_substance | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v20 | ef:flow/261e1b24-e3a5-4044-abc4-3f3589ca970d/v21 |