Copper Chlorophthalocyanine
Everything that changed this flow. Back to the flow
44796cb1-a9a1-491a-9060-50103337f700
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 4 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'C.I. 74250' (registry code), 'Vynamon Blue 501510' (trade name) |
| 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=copperchlorophthalocyanine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'12239-87-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f849e3dc54f923a8: {'12239-87-1': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['12239-87-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[76420152, 91867977, 122130884, 133108868, 138394853]; selected_pubchem_cids=[76420152, 91867977, 122130884, 133108868, 138394853]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,103 | bootstrap_labels | prefLabel | — | [{"@value":"copper chlorophthalocyanine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 5,104 | bootstrap_labels | name | copper chlorophthalocyanine | — | Purged legacy name field to enforce prefLabel usage |
| 5,105 | bootstrap_labels | synonyms | ["organometallic","copperchlorophthalocyanine","chromofineblue5029","cyaninebluemr-3","fastogenblue","heliogenbluebq","… | [] | Removed legacy synonyms field in favor of structured labels |
| 82,046 | 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) |
| 82,047 | 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) |
| 215,044 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,273 | normalize_name_case | prefLabel | [{"@value":"copper chlorophthalocyanine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Copper Chlorophthalocyanine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,085 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H16ClCu… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=5) |
| 232,086 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,087 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.032.239","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['12239-87-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[76420152, 91867977, 122130884, 133108868, 138394853]; selected_pubchem_cids=[76420152, 91867977, 122130884, 133108868, 138394853]; 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 |
| 249,723 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H16ClCu… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H16ClCu… | rdkit_pre_consensus from 'C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3.Cl[Cu+]'; added: molecular_mass, monoisotopic_mass |
| 265,305 | consensus_match | altLabel | [] | [{"@value":"(Chlorophthalocyaninato)copper","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=copperchlorophthalocyanine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=12239-87-1; added Common Chemistry CAS names as altLabel: (Chlorophthalocyaninato)copper, 29<em>H</em>,31<em>H</em>-Phthalocyanine, <em>C</em>-chloro-, copper complex, 29<em>H</em>,31<em>H</em>-Phthalocyanine, copper deriv., Blue J 61SE, Blue J 620, C.I. 74250, Copper monochlorophthalocyanine, Copper, [<em>C</em>-chloro-29<em>H</em>,31<em>H</em>-phthalocyaninato(2-)-<em>N</em><sup>29</sup>,<em>N</em><sup>30</sup>,<em>N</em><sup>31</sup>,<em>N</em><sup>32</sup>]-, Copper, [<em>C</em>-chloro-29<em>H</em>,31<em>H</em>-phthalocyaninato(2-)-κ<em>N</em><sup>29</sup>,κ<em>N</em><sup>30</sup>,κ<em>N</em><sup>31</sup>,κ<em>N</em><sup>32</sup>]-, Copper, [chlorophthalocyaninato(2-)]-, Monochlorocopper phthalocyanine, Phthalocyanine, chloro-, copper deriv., Pigment Sky Blue Phthalocyanine 2ZU, Sanyo Cyanine Blue F 1102, Vibracolor Blue PBL 15L, Vynamon Blue 501510, Vynamon Blue SA-FW, [<em>C</em>-Chloro-29<em>H</em>,31<em>H</em>-phthalocyaninato(2-)-κ<em>N</em><sup>29</sup>,κ<em>N</em><sup>30</sup>,κ<em>N</em><sup>31</sup>,κ<em>N</em><sup>32</sup>]copper; object_uuid=fo-f849e3dc54f923a8 |
| 265,306 | consensus_match | cas_match_labels | — | {"12239-87-1":"exactMatch"} | group_key=copperchlorophthalocyanine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'12239-87-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f849e3dc54f923a8: {'12239-87-1': 'exactMatch'} |
| 281,335 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H16ClCu… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H16ClCu… | rdkit_post_consensus from 'C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3.Cl[Cu+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,824 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H16ClCu… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H16ClCu… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 4 candidate structures, so no one mass describes it |
| 288,301 | strip_catalogue_altlabels | altLabel | [{"@value":"(Chlorophthalocyaninato)copper","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"(Chlorophthalocyaninato)copper","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 2 catalogue altLabel value(s): 'C.I. 74250' (registry code), 'Vynamon Blue 501510' (trade name) |
| 322,037 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/44796cb1-a9a1-… | associations resolved on the elementary layer |
| 396,209 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260822T0600486828500000/5103 | prefLabel | ef:agent/bootstrap_labels | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v0 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v1 |
| ef:activity/change/20260822T0600486828500000/5104 | name | ef:agent/bootstrap_labels | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v1 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v2 |
| ef:activity/change/20260822T0600486828500000/5105 | synonyms | ef:agent/bootstrap_labels | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v2 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v3 |
| ef:activity/change/20260822T0600486828500000/82046 | context | ef:agent/default_context_mapping | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v3 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v4 |
| ef:activity/change/20260822T0600486828500000/82047 | context_iri | ef:agent/default_context_mapping | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v4 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v5 |
| ef:activity/change/20260822T0600486828500000/215044 | unit_iri | ef:agent/unit_normalization | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v5 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v6 |
| ef:activity/change/20260822T0600486828500000/222273 | prefLabel | ef:agent/normalize_name_case | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v6 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v7 |
| ef:activity/change/20260822T0600486828500000/232085 | properties | ef:agent/enrich_references | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v7 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v8 |
| ef:activity/change/20260822T0600486828500000/232086 | skos_definition | ef:agent/enrich_references | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v8 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v9 |
| ef:activity/change/20260822T0600486828500000/232087 | references | ef:agent/enrich_references | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v9 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v10 |
| ef:activity/change/20260822T0600486828500000/249723 | properties | ef:agent/rdkit_pre_consensus | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v10 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v11 |
| ef:activity/change/20260822T0600486828500000/265305 | altLabel | ef:agent/consensus_match | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v11 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v12 |
| ef:activity/change/20260822T0600486828500000/265306 | cas_match_labels | ef:agent/consensus_match | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v12 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v13 |
| ef:activity/change/20260822T0600486828500000/281335 | properties | ef:agent/rdkit_post_consensus | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v13 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v14 |
| ef:activity/change/20260822T0600486828500000/286824 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v14 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v15 |
| ef:activity/change/20260822T0600486828500000/288301 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v15 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v16 |
| ef:activity/change/20260822T0600486828500000/322037 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v16 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v17 |
| ef:activity/change/20260822T0600486828500000/396209 | types | ef:agent/link_flows_to_their_substance | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v17 | ef:flow/44796cb1-a9a1-491a-9060-50103337f700/v18 |