Disodium 5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2- Sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hydroxy-4-alkyl-2-oxo-3- Pyridinealkanesulphonate
Everything that changed this flow. Back to the flow
39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=disodium5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2-sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hydroxy-4-alkyl-2-oxo-3-pyridinealkanesulphonate||dimension=Environmental > media=Air > indoor=Unknown; cas=111850-27-2; added Common Chemistry CAS names as altLabel: 3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2), 3-Pyridinemethanesulfonic acid, 5-[[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, disodium salt; object_uuid=fo-988a76b6afc8d555 |
| cas_match_labels | 1 | consensus_match | group_key=disodium5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2-sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hydroxy-4-alkyl-2-oxo-3-pyridinealkanesulphonate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'111850-27-2': []}; assigned CAS labels from group consensus; object_uuid=fo-988a76b6afc8d555: {'111850-27-2': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111850-27-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[101597384, 155926054]; selected_pubchem_cids=[101597384, 155926054]; 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 |
|---|---|---|---|---|---|
| 10,354 | bootstrap_labels | prefLabel | — | [{"@value":"disodium 5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2- sulphonatophenylazo)-1-alkyl-1,2-d… | Bootstrapped prefLabel from legacy name field |
| 10,355 | bootstrap_labels | name | disodium 5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2- sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hyd… | — | Purged legacy name field to enforce prefLabel usage |
| 10,356 | bootstrap_labels | synonyms | ["organic","c.i.reactiveyellow175","cibacronyellowc-5g","gialloreattivo175","jaunereactif175","reactiveyellow175"] | [] | Removed legacy synonyms field in favor of structured labels |
| 74,976 | 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 |
| 74,977 | 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 |
| 216,776 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,516 | normalize_name_case | prefLabel | [{"@value":"disodium 5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2- sulphonatophenylazo)-1-alkyl-1,2-d… | [{"@value":"Disodium 5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2- Sulphonatophenylazo)-1-alkyl-1,2-d… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,048 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 237,049 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,050 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J381.657E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['111850-27-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[101597384, 155926054]; selected_pubchem_cids=[101597384, 155926054]; 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 |
| 251,149 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | rdkit_pre_consensus from 'CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NCCOCCS(=O)(=O)C=C)F)S(=O)(=O)O)C)CS(=O)(=O)[O-])[O-].[Na+].[Na+]'; added: molecular_mass, monoisotopic_mass |
| 266,379 | consensus_match | altLabel | [] | [{"@value":"3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-tria… | group_key=disodium5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2-sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hydroxy-4-alkyl-2-oxo-3-pyridinealkanesulphonate||dimension=Environmental > media=Air > indoor=Unknown; cas=111850-27-2; added Common Chemistry CAS names as altLabel: 3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2), 3-Pyridinemethanesulfonic acid, 5-[[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, disodium salt; object_uuid=fo-988a76b6afc8d555 |
| 266,380 | consensus_match | cas_match_labels | — | {"111850-27-2":"exactMatch"} | group_key=disodium5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2-sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hydroxy-4-alkyl-2-oxo-3-pyridinealkanesulphonate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'111850-27-2': []}; assigned CAS labels from group consensus; object_uuid=fo-988a76b6afc8d555: {'111850-27-2': 'exactMatch'} |
| 276,331 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2)' |
| 282,929 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | rdkit_post_consensus from 'C=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2ccc(S(=O)(=O)[O-])c(N=Nc3c(C)c(CS(=O)(=O)[O-])c(=O)n(CC)c3O)c2)n1.[Na+].[Na+]'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,935 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C24H27FN8N… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 318,504 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/39dadb8d-9dc7-… | associations resolved on the elementary layer |
| 398,412 | 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/20260822T0600486828500000/10354 | prefLabel | ef:agent/bootstrap_labels | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v0 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v1 |
| ef:activity/change/20260822T0600486828500000/10355 | name | ef:agent/bootstrap_labels | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v1 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v2 |
| ef:activity/change/20260822T0600486828500000/10356 | synonyms | ef:agent/bootstrap_labels | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v2 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v3 |
| ef:activity/change/20260822T0600486828500000/74976 | context | ef:agent/default_context_mapping | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v3 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v4 |
| ef:activity/change/20260822T0600486828500000/74977 | context_iri | ef:agent/default_context_mapping | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v4 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v5 |
| ef:activity/change/20260822T0600486828500000/216776 | unit_iri | ef:agent/unit_normalization | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v5 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v6 |
| ef:activity/change/20260822T0600486828500000/223516 | prefLabel | ef:agent/normalize_name_case | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v6 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v7 |
| ef:activity/change/20260822T0600486828500000/237048 | properties | ef:agent/enrich_references | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v7 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v8 |
| ef:activity/change/20260822T0600486828500000/237049 | skos_definition | ef:agent/enrich_references | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v8 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v9 |
| ef:activity/change/20260822T0600486828500000/237050 | references | ef:agent/enrich_references | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v9 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v10 |
| ef:activity/change/20260822T0600486828500000/251149 | properties | ef:agent/rdkit_pre_consensus | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v10 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v11 |
| ef:activity/change/20260822T0600486828500000/266379 | altLabel | ef:agent/consensus_match | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v11 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v12 |
| ef:activity/change/20260822T0600486828500000/266380 | cas_match_labels | ef:agent/consensus_match | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v12 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v13 |
| ef:activity/change/20260822T0600486828500000/276331 | properties | ef:agent/opsin_iupac | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v13 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v14 |
| ef:activity/change/20260822T0600486828500000/282929 | properties | ef:agent/rdkit_post_consensus | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v14 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v15 |
| ef:activity/change/20260822T0600486828500000/286935 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v15 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v16 |
| ef:activity/change/20260822T0600486828500000/318504 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v16 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v17 |
| ef:activity/change/20260822T0600486828500000/398412 | types | ef:agent/link_flows_to_their_substance | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v17 | ef:flow/39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c/v18 |