Mechlorethamine
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-1d60db444d0adb51
Changes
56| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,093 | bootstrap_labels | prefLabel | — | [{"@value":"nitrogen mustard","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 9,094 | bootstrap_labels | name | nitrogen mustard | — | Purged legacy name field to enforce prefLabel usage |
| 9,095 | 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 |
| 41,337 | 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 |
| 41,338 | 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 |
| 41,339 | 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 |
| 41,340 | 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 |
| 41,341 | 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 |
| 41,342 | 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 |
| 41,343 | 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) |
| 41,344 | 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) |
| 41,345 | 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 |
| 41,346 | 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 |
| 91,215 | 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 |
| 91,216 | 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 |
| 91,217 | 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 |
| 91,218 | 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 |
| 91,219 | 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) |
| 91,220 | 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) |
| 91,221 | 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 |
| 91,222 | 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 |
| 91,223 | 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 |
| 91,224 | 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 |
| 91,225 | 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 |
| 91,226 | 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 |
| 178,521 | 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 |
| 178,522 | 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 |
| 216,367 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,245 | 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) |
| 226,915 | ec_cross_check | ec_numbers | [] | ["200-120-5"] | Resolved from EC-inventory: 200-120-5 from CAS 51-75-2 |
| 235,888 | 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) |
| 235,889 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,890 | 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 |
| 250,824 | 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 |
| 255,709 | 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) |
| 269,907 | 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 |
| 269,908 | 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 |
| 269,909 | 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 |
| 269,910 | 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'} |
| 276,009 | 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' |
| 282,578 | 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 |
| 289,178 | 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) |
| 301,732 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 301,733 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 301,734 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 301,735 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 301,736 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 326,650 | 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 |
| 326,651 | 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 |
| 326,652 | 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 |