Mechlorethamine
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9441-0050c2490048
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 128663' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=51-75-2; cc_chebi_agreed_name='Mechlorethamine'; object_uuid=fo-1d60db444d0adb51 |
| cas_match_labels | 1 | consensus_match | group_key=nitrogenmustard||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51-75-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1d60db444d0adb51: {'51-75-2': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 200-120-5 from CAS 51-75-2 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['51-75-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28925']; candidate_pubchem_cids=[4033, 5935, 22133593]; selected_pubchem_cids=[4033]; 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
23| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,095 | bootstrap_labels | prefLabel | — | [{"@value":"nitrogen mustard","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 9,096 | bootstrap_labels | name | nitrogen mustard | — | Purged legacy name field to enforce prefLabel usage |
| 9,097 | bootstrap_labels | synonyms | [".Beta.,.beta.'-Dichlorodiethyl-N-methylamine","1, 5-Dichloro-3-methyl-3-azapentane hydrochloride","2,2'-Dichloro-N-me… | [] | Removed legacy synonyms field in favor of structured labels |
| 91,226 | 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 |
| 91,227 | 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 |
| 216,370 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,247 | normalize_name_case | prefLabel | [{"@value":"nitrogen mustard","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Nitrogen Mustard","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,919 | ec_cross_check | ec_numbers | [] | ["200-120-5"] | Resolved from EC-inventory: 200-120-5 from CAS 51-75-2 |
| 235,892 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,893 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,894 | enrich_references | references | [] | [{"@id":"drugcentral:1647","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['51-75-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28925']; candidate_pubchem_cids=[4033, 5935, 22133593]; selected_pubchem_cids=[4033]; 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 |
| 250,825 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | rdkit_pre_consensus from 'CN(CCCl)CCCl'; added: monoisotopic_mass |
| 255,710 | chebi_altlabels | altLabel | [] | [{"@value":"2,2'-dichloro-N-methyldiethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,925 | consensus_match | prefLabel | [{"@value":"Nitrogen Mustard","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Mechlorethamine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=51-75-2; cc_chebi_agreed_name='Mechlorethamine'; object_uuid=fo-1d60db444d0adb51 |
| 269,926 | consensus_match | altLabel | [{"@value":"2,2'-dichloro-N-methyldiethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | [{"@value":"2,2'-dichloro-N-methyldiethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | cas=51-75-2; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-1d60db444d0adb51 |
| 269,927 | consensus_match | altLabel | [{"@value":"2,2'-dichloro-N-methyldiethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | [{"@value":"2,2'-dichloro-N-methyldiethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | group_key=nitrogenmustard||dimension=Environmental > media=Ground > geography=Agricultural; cas=51-75-2; added Common Chemistry CAS names as altLabel: 2,2′-Dichloro-<em>N</em>-methyldiethylamine, <em>N</em>,<em>N</em>-Bis(2-chloroethyl)methylamine, <em>N</em>,<em>N</em>-Di(chloroethyl)methylamine, <em>N</em>-Methyl-2,2′-dichlorodiethylamine, <em>N</em>-Methylbis(2-chloroethyl)amine, <em>N</em>-Methylbis(β-chloroethyl)amine, Bis(β-chloroethyl)methylamine, Chlorethazine, Cloramin, Di(2-chloroethyl)methylamine, Diethylamine, 2,2′-dichloro-<em>N</em>-methyl-, Ethanamine, 2-chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methyl-, HN<sub>2</sub>, HN<sub>2</sub> (amine), Ledaga, MBA, MeSH ID: D008466, Methyl-β,β-dichlorodiethylamine, Methylbis(β-chloroethyl)amine, Methyldi(2-chloroethyl)amine, Mustargen, Mustine, Mustine Note, NSC 128663, Nitrogen mustard (HN 2), Valchlor; object_uuid=fo-1d60db444d0adb51 |
| 269,928 | consensus_match | cas_match_labels | — | {"51-75-2":"exactMatch"} | group_key=nitrogenmustard||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51-75-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1d60db444d0adb51: {'51-75-2': 'exactMatch'} |
| 276,024 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-chloro-N-(2-chloroethyl)-N-methylethanamine' |
| 282,592 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | rdkit_post_consensus from 'CN(CCCl)CCCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,186 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2'-dichloro-N-methyldiethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | [{"@value":"2,2'-dichloro-N-methyldiethylamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pro… | Removed 1 catalogue altLabel value(s): 'NSC 128663' (registry code) |
| 326,639 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 390,373 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2N"… | typed the way the ontology types it |
| 397,946 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
23 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/20260820T0738569779880000/9095 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v1 |
| ef:activity/change/20260820T0738569779880000/9096 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v2 |
| ef:activity/change/20260820T0738569779880000/9097 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v3 |
| ef:activity/change/20260820T0738569779880000/91226 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v4 |
| ef:activity/change/20260820T0738569779880000/91227 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v5 |
| ef:activity/change/20260820T0738569779880000/216370 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v6 |
| ef:activity/change/20260820T0738569779880000/223247 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v7 |
| ef:activity/change/20260820T0738569779880000/226919 | ec_numbers | ef:agent/ec_cross_check | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v8 |
| ef:activity/change/20260820T0738569779880000/235892 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v9 |
| ef:activity/change/20260820T0738569779880000/235893 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v10 |
| ef:activity/change/20260820T0738569779880000/235894 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v11 |
| ef:activity/change/20260820T0738569779880000/250825 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v12 |
| ef:activity/change/20260820T0738569779880000/255710 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v13 |
| ef:activity/change/20260820T0738569779880000/269925 | prefLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v14 |
| ef:activity/change/20260820T0738569779880000/269926 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v15 |
| ef:activity/change/20260820T0738569779880000/269927 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v16 |
| ef:activity/change/20260820T0738569779880000/269928 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v17 |
| ef:activity/change/20260820T0738569779880000/276024 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v18 |
| ef:activity/change/20260820T0738569779880000/282592 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v19 |
| ef:activity/change/20260820T0738569779880000/289186 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v20 |
| ef:activity/change/20260820T0738569779880000/326639 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v20 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v21 |
| ef:activity/change/20260820T0738569779880000/390373 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v21 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v22 |
| ef:activity/change/20260820T0738569779880000/397946 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v22 | ef:flow/4d9a8790-3ddd-11dd-9441-0050c2490048/v23 |