Bis[tetrakis(hydroxymethyl)phosphonium] Sulfate
Everything that changed this flow. Back to the flow
6e7fe3a0-3cab-4610-ab3e-e8625a612180
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): 'Magnacide 575' (trade name), 'THPS 75' (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=bis[tetrakis(hydroxymethyl)phosphonium]sulfate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55566-30-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-635ef810766348af: {'55566-30-8': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['55566-30-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[41478, 9859805, 22328569]; selected_pubchem_cids=[22328569]; 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 |
|---|---|---|---|---|---|
| 21,085 | bootstrap_labels | prefLabel | — | [{"@value":"bis[tetrakis(hydroxymethyl)phosphonium] sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Bootstrapped prefLabel from legacy name field |
| 21,086 | bootstrap_labels | name | bis[tetrakis(hydroxymethyl)phosphonium] sulfate | — | Purged legacy name field to enforce prefLabel usage |
| 21,087 | bootstrap_labels | synonyms | ["organic","tetrakis(hydroxymethyl)phosphoniumsulphate(2:1)(thps)","tetrakis(hydroxymethyl)phosphoniumsulphate(2:1)","t… | [] | Removed legacy synonyms field in favor of structured labels |
| 115,618 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 115,619 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 220,130 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,869 | normalize_name_case | prefLabel | [{"@value":"bis[tetrakis(hydroxymethyl)phosphonium] sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | [{"@value":"Bis[tetrakis(hydroxymethyl)phosphonium] Sulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,551 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,552 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,553 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=55566-30-8","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['55566-30-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[41478, 9859805, 22328569]; selected_pubchem_cids=[22328569]; 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 |
| 253,911 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | rdkit_pre_consensus from 'C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 264,408 | consensus_match | altLabel | [] | [{"@value":"Aqucar THPS 75","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | group_key=bis[tetrakis(hydroxymethyl)phosphonium]sulfate||dimension=Environmental > media=Water > water_body=Ocean; cas=55566-30-8; added Common Chemistry CAS names as altLabel: Aqucar THPS 75, BR-S 13, Bis[tetra(hydroxymethyl)phosphonium] sulfate, Bricorr 75, Eccoshield FR 101, Magnacide 575, Octakis(hydroxymethyl)diphosphonium sulfate, Odycide B 320, Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1), Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1) (salt), Proban NX, Pyroset TKO, Pyroset TKOW, Retardol S, THPS, THPS 75, Tetrakis(hydroxymethyl)phosphonium sulfate, Tolcide, Tolcide 20A, Tolcide 70A, Tolcide PS, Tolcide PS 200, Tolcide PS 75; object_uuid=fo-635ef810766348af |
| 264,409 | consensus_match | cas_match_labels | — | {"55566-30-8":"exactMatch"} | group_key=bis[tetrakis(hydroxymethyl)phosphonium]sulfate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55566-30-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-635ef810766348af: {'55566-30-8': 'exactMatch'} |
| 279,097 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bis[tetrakis(hydroxymethyl)phosphonium] Sulfate' |
| 285,946 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | rdkit_post_consensus from 'O=S(=O)([O-])[O-].OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,194 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H12O8PS-… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,416 | strip_catalogue_altlabels | altLabel | [{"@value":"Aqucar THPS 75","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | [{"@value":"Aqucar THPS 75","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | Removed 2 catalogue altLabel value(s): 'Magnacide 575' (trade name), 'THPS 75' (grade code) |
| 338,808 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6e7fe3a0-3cab-… | associations resolved on the elementary layer |
| 402,487 | 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/20260822T0600486828500000/21085 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v0 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v1 |
| ef:activity/change/20260822T0600486828500000/21086 | name | ef:agent/bootstrap_labels | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v1 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v2 |
| ef:activity/change/20260822T0600486828500000/21087 | synonyms | ef:agent/bootstrap_labels | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v2 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v3 |
| ef:activity/change/20260822T0600486828500000/115618 | context | ef:agent/default_context_mapping | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v3 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v4 |
| ef:activity/change/20260822T0600486828500000/115619 | context_iri | ef:agent/default_context_mapping | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v4 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v5 |
| ef:activity/change/20260822T0600486828500000/220130 | unit_iri | ef:agent/unit_normalization | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v5 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v6 |
| ef:activity/change/20260822T0600486828500000/225869 | prefLabel | ef:agent/normalize_name_case | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v6 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v7 |
| ef:activity/change/20260822T0600486828500000/246551 | properties | ef:agent/enrich_references | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v7 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v8 |
| ef:activity/change/20260822T0600486828500000/246552 | skos_definition | ef:agent/enrich_references | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v8 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v9 |
| ef:activity/change/20260822T0600486828500000/246553 | references | ef:agent/enrich_references | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v9 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v10 |
| ef:activity/change/20260822T0600486828500000/253911 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v10 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v11 |
| ef:activity/change/20260822T0600486828500000/264408 | altLabel | ef:agent/consensus_match | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v11 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v12 |
| ef:activity/change/20260822T0600486828500000/264409 | cas_match_labels | ef:agent/consensus_match | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v12 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v13 |
| ef:activity/change/20260822T0600486828500000/279097 | properties | ef:agent/opsin_iupac | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v13 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v14 |
| ef:activity/change/20260822T0600486828500000/285946 | properties | ef:agent/rdkit_post_consensus | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v14 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v15 |
| ef:activity/change/20260822T0600486828500000/287194 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v15 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v16 |
| ef:activity/change/20260822T0600486828500000/291416 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v16 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v17 |
| ef:activity/change/20260822T0600486828500000/338808 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v17 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v18 |
| ef:activity/change/20260822T0600486828500000/402487 | types | ef:agent/link_flows_to_their_substance | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v18 | ef:flow/6e7fe3a0-3cab-4610-ab3e-e8625a612180/v19 |