Lithium Sodium Hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate
Everything that changed this flow. Back to the flow
d27b8216-6dd4-4e7e-ba0b-d865965771af
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 2 catalogue altLabel value(s): 'C.I. 205069' (registry code), 'EMPA 135' (grade 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=lithiumsodiumhydrogen4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['pubchem']; cas_sources={'108624-00-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a7ff0099c3d5c815: {'108624-00-6': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['108624-00-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[135666640]; selected_pubchem_cids=[135666640]; 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 |
|---|---|---|---|---|---|
| 18,598 | bootstrap_labels | prefLabel | — | [{"@value":"lithium sodium hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hyd… | Bootstrapped prefLabel from legacy name field |
| 18,599 | bootstrap_labels | name | lithium sodium hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2… | — | Purged legacy name field to enforce prefLabel usage |
| 18,600 | bootstrap_labels | synonyms | ["organometallic","lithiumsodiumhydrogen4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5… | [] | Removed legacy synonyms field in favor of structured labels |
| 174,468 | 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 |
| 174,469 | 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 |
| 219,415 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,327 | normalize_name_case | prefLabel | [{"@value":"lithium sodium hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hyd… | [{"@value":"Lithium Sodium Hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hyd… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,542 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,543 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,544 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.100.347","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['108624-00-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[135666640]; selected_pubchem_cids=[135666640]; 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 |
| 253,322 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | rdkit_pre_consensus from '[Li+].[Li+].C1=CC(=CC=C1N=NC2=C(C=C3C=C(C(=C(C3=C2N)O)N=NC4=C(C=CC(=C4)NC5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]'; added: molecular_mass, monoisotopic_mass |
| 268,414 | consensus_match | altLabel | [] | [{"@value":"2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]… | group_key=lithiumsodiumhydrogen4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Long-term; cas=108624-00-6; added Common Chemistry CAS names as altLabel: 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-5-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, lithium sodium salt (1:?:?), 2,7-Naphthalenedisulfonic acid, 4-amino-6-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-5-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, lithium sodium salt, C.I. 205069, C.I. Reactive Blue 225, EMPA 135, Levafix Blue EBNA, Levafix Marine Blue E-BNA, Levafix Navy Blue E-BNA, Navy Blue E-BNA, Reactive Blue 225; object_uuid=fo-a7ff0099c3d5c815 |
| 268,415 | consensus_match | cas_match_labels | — | {"108624-00-6":"exactMatch"} | group_key=lithiumsodiumhydrogen4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['pubchem']; cas_sources={'108624-00-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a7ff0099c3d5c815: {'108624-00-6': 'exactMatch'} |
| 278,534 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Lithium Sodium Hydrogen 4-amino-6-(5-(5-chloro-2,6-difluoropyrimidin-4-ylamino)-2-sulfonatophenylazo)-5-hydroxy-3-(4-(2-(sulfonatooxy)ethylsulfonyl)phenylazo)naphthalene-2,7-disulfonate' |
| 285,302 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | rdkit_post_consensus from 'Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(Nc4nc(F)nc(F)c4Cl)ccc3S(=O)(=O)[O-])c(O)c12.[Li+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,129 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H17ClF2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 290,998 | strip_catalogue_altlabels | altLabel | [{"@value":"2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]… | [{"@value":"2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]… | Removed 2 catalogue altLabel value(s): 'C.I. 205069' (registry code), 'EMPA 135' (grade code) |
| 368,258 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d27b8216-6dd4-… | associations resolved on the elementary layer |
| 401,589 | 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/20260822T0600486828500000/18598 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v0 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v1 |
| ef:activity/change/20260822T0600486828500000/18599 | name | ef:agent/bootstrap_labels | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v1 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v2 |
| ef:activity/change/20260822T0600486828500000/18600 | synonyms | ef:agent/bootstrap_labels | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v2 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v3 |
| ef:activity/change/20260822T0600486828500000/174468 | context | ef:agent/default_context_mapping | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v3 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v4 |
| ef:activity/change/20260822T0600486828500000/174469 | context_iri | ef:agent/default_context_mapping | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v4 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v5 |
| ef:activity/change/20260822T0600486828500000/219415 | unit_iri | ef:agent/unit_normalization | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v5 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v6 |
| ef:activity/change/20260822T0600486828500000/225327 | prefLabel | ef:agent/normalize_name_case | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v6 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v7 |
| ef:activity/change/20260822T0600486828500000/244542 | properties | ef:agent/enrich_references | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v7 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v8 |
| ef:activity/change/20260822T0600486828500000/244543 | skos_definition | ef:agent/enrich_references | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v8 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v9 |
| ef:activity/change/20260822T0600486828500000/244544 | references | ef:agent/enrich_references | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v9 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v10 |
| ef:activity/change/20260822T0600486828500000/253322 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v10 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v11 |
| ef:activity/change/20260822T0600486828500000/268414 | altLabel | ef:agent/consensus_match | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v11 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v12 |
| ef:activity/change/20260822T0600486828500000/268415 | cas_match_labels | ef:agent/consensus_match | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v12 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v13 |
| ef:activity/change/20260822T0600486828500000/278534 | properties | ef:agent/opsin_iupac | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v13 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v14 |
| ef:activity/change/20260822T0600486828500000/285302 | properties | ef:agent/rdkit_post_consensus | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v14 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v15 |
| ef:activity/change/20260822T0600486828500000/287129 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v15 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v16 |
| ef:activity/change/20260822T0600486828500000/290998 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v16 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v17 |
| ef:activity/change/20260822T0600486828500000/368258 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v17 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v18 |
| ef:activity/change/20260822T0600486828500000/401589 | types | ef:agent/link_flows_to_their_substance | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v18 | ef:flow/d27b8216-6dd4-4e7e-ba0b-d865965771af/v19 |