Pentasodium 4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
Everything that changed this flow. Back to the flow
915301d7-b311-464b-9999-4cae4f22778b
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'C.I. 20507' (registry code) |
| 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=pentasodium4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'68259-02-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-58744023736443cf: {'68259-02-9': '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=['68259-02-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[101531311, 135666478, 137221739]; selected_pubchem_cids=[137221739]; 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 |
|---|---|---|---|---|---|
| 12,297 | bootstrap_labels | prefLabel | — | [{"@value":"pentasodium 4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-… | Bootstrapped prefLabel from legacy name field |
| 12,298 | bootstrap_labels | name | pentasodium 4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatop… | — | Purged legacy name field to enforce prefLabel usage |
| 12,299 | bootstrap_labels | synonyms | ["organic","pentasodium4-amino-6-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-3-[(2,5-disul… | [] | Removed legacy synonyms field in favor of structured labels |
| 136,096 | 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) |
| 136,097 | 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) |
| 217,408 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,941 | normalize_name_case | prefLabel | [{"@value":"pentasodium 4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-… | [{"@value":"Pentasodium 4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,862 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H19ClN1… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,863 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,864 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=68259-02-9","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['68259-02-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[101531311, 135666478, 137221739]; selected_pubchem_cids=[137221739]; 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 |
| 251,672 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H19ClN1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H19ClN1… | rdkit_pre_consensus from 'C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)Cl)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)N)O)S(=O)(=O)O.[Na].[Na].[Na].[Na].[Na]'; added: molecular_mass, monoisotopic_mass |
| 270,481 | consensus_match | altLabel | [] | [{"@value":"2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]… | group_key=pentasodium4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68259-02-9; added Common Chemistry CAS names as altLabel: 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-3-[2-(2,5-disulfophenyl)diazenyl]-5-hydroxy-, sodium salt (1:5), 2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo]-3-[(2,5-disulfophenyl)azo]-5-hydroxy-, pentasodium salt, C.I. 20507, C.I. Reactive Black 39, C.I. Reactive Blue 176, Kayacion Blue P-N 3G, Ostazin Blue H 2G, Reactive Black 39, Reactive Blue 176; object_uuid=fo-58744023736443cf |
| 270,482 | consensus_match | cas_match_labels | — | {"68259-02-9":"exactMatch"} | group_key=pentasodium4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'68259-02-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-58744023736443cf: {'68259-02-9': 'exactMatch'} |
| 276,855 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H19ClN1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H19ClN1… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentasodium 4-amino-6-({5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-3-[(2,5-disulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate' |
| 283,501 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H19ClN1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H14ClN1… | rdkit_post_consensus from 'Nc1nc(Cl)nc(Nc2ccc(S(=O)(=O)[O-])c(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])c(N=Nc5cc(S(=O)(=O)[O-])ccc5S(=O)(=O)[O-])c(N)c4c3O)c2)n1.[Na+].[Na+].[Na+].[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,990 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H14ClN1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H14ClN1… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,786 | strip_catalogue_altlabels | altLabel | [{"@value":"2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]… | [{"@value":"2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]… | Removed 1 catalogue altLabel value(s): 'C.I. 20507' (registry code) |
| 349,044 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/915301d7-b311-… | associations resolved on the elementary layer |
| 399,148 | 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/20260822T0600486828500000/12297 | prefLabel | ef:agent/bootstrap_labels | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v0 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v1 |
| ef:activity/change/20260822T0600486828500000/12298 | name | ef:agent/bootstrap_labels | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v1 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v2 |
| ef:activity/change/20260822T0600486828500000/12299 | synonyms | ef:agent/bootstrap_labels | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v2 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v3 |
| ef:activity/change/20260822T0600486828500000/136096 | context | ef:agent/default_context_mapping | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v3 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v4 |
| ef:activity/change/20260822T0600486828500000/136097 | context_iri | ef:agent/default_context_mapping | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v4 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v5 |
| ef:activity/change/20260822T0600486828500000/217408 | unit_iri | ef:agent/unit_normalization | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v5 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v6 |
| ef:activity/change/20260822T0600486828500000/223941 | prefLabel | ef:agent/normalize_name_case | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v6 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v7 |
| ef:activity/change/20260822T0600486828500000/238862 | properties | ef:agent/enrich_references | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v7 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v8 |
| ef:activity/change/20260822T0600486828500000/238863 | skos_definition | ef:agent/enrich_references | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v8 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v9 |
| ef:activity/change/20260822T0600486828500000/238864 | references | ef:agent/enrich_references | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v9 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v10 |
| ef:activity/change/20260822T0600486828500000/251672 | properties | ef:agent/rdkit_pre_consensus | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v10 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v11 |
| ef:activity/change/20260822T0600486828500000/270481 | altLabel | ef:agent/consensus_match | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v11 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v12 |
| ef:activity/change/20260822T0600486828500000/270482 | cas_match_labels | ef:agent/consensus_match | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v12 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v13 |
| ef:activity/change/20260822T0600486828500000/276855 | properties | ef:agent/opsin_iupac | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v13 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v14 |
| ef:activity/change/20260822T0600486828500000/283501 | properties | ef:agent/rdkit_post_consensus | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v14 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v15 |
| ef:activity/change/20260822T0600486828500000/286990 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v15 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v16 |
| ef:activity/change/20260822T0600486828500000/289786 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v16 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v17 |
| ef:activity/change/20260822T0600486828500000/349044 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v17 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v18 |
| ef:activity/change/20260822T0600486828500000/399148 | types | ef:agent/link_flows_to_their_substance | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v18 | ef:flow/915301d7-b311-464b-9999-4cae4f22778b/v19 |