Disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred Name)
Everything that changed this flow. Back to the flow
2858f5a8-84a7-4bc8-bf34-99b1cdf36351
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 |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=disodium2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate](non-preferredname)||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'27344-06-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4c5c45b3d7f5a403: {'27344-06-5': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, 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=['27344-06-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[161565, 6440980, 136699112, 156593809, 172640837]; selected_pubchem_cids=[161565, 6440980, 156593809, 172640837]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,112 | bootstrap_labels | prefLabel | — | [{"@value":"disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin… | Bootstrapped prefLabel from legacy name field |
| 2,113 | bootstrap_labels | name | disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)… | — | Purged legacy name field to enforce prefLabel usage |
| 2,114 | bootstrap_labels | synonyms | ["organic","disodium4,4'","-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]st… | [] | Removed legacy synonyms field in favor of structured labels |
| 62,990 | 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) |
| 62,991 | 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) |
| 214,043 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,581 | normalize_name_case | prefLabel | [{"@value":"disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin… | [{"@value":"Disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,210 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 229,211 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,212 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.044.004","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['27344-06-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[161565, 6440980, 136699112, 156593809, 172640837]; selected_pubchem_cids=[161565, 6440980, 156593809, 172640837]; 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 |
| 248,901 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | rdkit_pre_consensus from 'C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCC(=O)N)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCC(=O)N)CCO)S(=O)(=O)O)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 266,341 | consensus_match | altLabel | [] | [{"@value":"2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-<em>s</em>-tr… | group_key=disodium2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate](non-preferredname)||dimension=Environmental > media=Water > water_body=Long-term; cas=27344-06-5; added Common Chemistry CAS names as altLabel: 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-, disodium salt, Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt, Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2); object_uuid=fo-4c5c45b3d7f5a403 |
| 266,342 | consensus_match | cas_match_labels | — | {"27344-06-5":"exactMatch"} | group_key=disodium2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate](non-preferredname)||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory']; cas_sources={'27344-06-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-4c5c45b3d7f5a403: {'27344-06-5': 'exactMatch'} |
| 274,022 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt' |
| 280,427 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | rdkit_post_consensus from 'NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, molecular_formula |
| 286,755 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H44N14N… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,073 | dedupe_altlabels | altLabel | [{"@value":"2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-<em>s</em>-tr… | [{"@value":"2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-y… | Deduplicated altLabel values and removed entries matching prefLabel |
| 312,513 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2858f5a8-84a7-… | associations resolved on the elementary layer |
| 394,989 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/2112 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v0 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v1 |
| ef:activity/change/20260822T0600486828500000/2113 | name | ef:agent/bootstrap_labels | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v1 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v2 |
| ef:activity/change/20260822T0600486828500000/2114 | synonyms | ef:agent/bootstrap_labels | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v2 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v3 |
| ef:activity/change/20260822T0600486828500000/62990 | context | ef:agent/default_context_mapping | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v3 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v4 |
| ef:activity/change/20260822T0600486828500000/62991 | context_iri | ef:agent/default_context_mapping | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v4 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v5 |
| ef:activity/change/20260822T0600486828500000/214043 | unit_iri | ef:agent/unit_normalization | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v5 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v6 |
| ef:activity/change/20260822T0600486828500000/221581 | prefLabel | ef:agent/normalize_name_case | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v6 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v7 |
| ef:activity/change/20260822T0600486828500000/229210 | properties | ef:agent/enrich_references | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v7 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v8 |
| ef:activity/change/20260822T0600486828500000/229211 | skos_definition | ef:agent/enrich_references | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v8 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v9 |
| ef:activity/change/20260822T0600486828500000/229212 | references | ef:agent/enrich_references | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v9 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v10 |
| ef:activity/change/20260822T0600486828500000/248901 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v10 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v11 |
| ef:activity/change/20260822T0600486828500000/266341 | altLabel | ef:agent/consensus_match | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v11 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v12 |
| ef:activity/change/20260822T0600486828500000/266342 | cas_match_labels | ef:agent/consensus_match | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v12 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v13 |
| ef:activity/change/20260822T0600486828500000/274022 | properties | ef:agent/opsin_iupac | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v13 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v14 |
| ef:activity/change/20260822T0600486828500000/280427 | properties | ef:agent/rdkit_post_consensus | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v14 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v15 |
| ef:activity/change/20260822T0600486828500000/286755 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v15 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v16 |
| ef:activity/change/20260822T0600486828500000/292073 | altLabel | ef:agent/dedupe_altlabels | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v16 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v17 |
| ef:activity/change/20260822T0600486828500000/312513 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v17 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v18 |
| ef:activity/change/20260822T0600486828500000/394989 | types | ef:agent/link_flows_to_their_substance | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v18 | ef:flow/2858f5a8-84a7-4bc8-bf34-99b1cdf36351/v19 |