Potassium 3-(acryloyloxy)propane-1-sulfonate
Everything that changed this flow. Back to the flow
91bfecb6-943a-48a0-aebf-b3fcdf3e6e45
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=potassium3-(acryloyloxy)propane-1-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; cas=31098-20-1; added Common Chemistry CAS names as altLabel: 1-Propanesulfonic acid, 3-hydroxy-, acrylate, potassium salt, 2-Propenoic acid, 3-sulfopropyl ester, potassium salt, 2-Propenoic acid, 3-sulfopropyl ester, potassium salt (1:1), 3-Sulfopropyl acrylate potassium salt, Acrylic acid 3-sulfopropyl ester potassium salt, Acrylic acid, ester with 3-hydroxy-1-propanesulfonic acid potassium salt, Potassium 3-(acryloyloxy)-1-propanesulfonate, Potassium 3-acryloyloxypropanesulfonate, Potassium 3-sulfopropyl acrylate, Ralu MER-SPA, SPA-K, Sulfopropyl acrylate potassium salt; object_uuid=fo-d592fd6b6ca80362 |
| cas_match_labels | 1 | consensus_match | group_key=potassium3-(acryloyloxy)propane-1-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'31098-20-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d592fd6b6ca80362: {'31098-20-1': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['31098-20-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[2762836, 16211705, 23663682]; selected_pubchem_cids=[16211705]; 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 |
|---|---|---|---|---|---|
| 16,211 | bootstrap_labels | prefLabel | — | [{"@value":"potassium 3-(acryloyloxy)propane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 16,212 | bootstrap_labels | name | potassium 3-(acryloyloxy)propane-1-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 16,213 | bootstrap_labels | synonyms | ["organic","potassium3-sulphonatopropylacrylate","raluâ®merspa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 136,344 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 136,345 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 218,662 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,815 | normalize_name_case | prefLabel | [{"@value":"potassium 3-(acryloyloxy)propane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"Potassium 3-(acryloyloxy)propane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,432 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,433 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,434 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=110604-37-0","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['31098-20-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[2762836, 16211705, 23663682]; selected_pubchem_cids=[16211705]; 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 |
| 252,716 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | rdkit_pre_consensus from 'C=CC(=O)OCCCS(=O)(=O)O.[K]'; added: molecular_mass, monoisotopic_mass |
| 270,830 | consensus_match | altLabel | [] | [{"@value":"1-Propanesulfonic acid, 3-hydroxy-, acrylate, potassium salt","@language":"en","source":{"prov:wasGenerated… | group_key=potassium3-(acryloyloxy)propane-1-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; cas=31098-20-1; added Common Chemistry CAS names as altLabel: 1-Propanesulfonic acid, 3-hydroxy-, acrylate, potassium salt, 2-Propenoic acid, 3-sulfopropyl ester, potassium salt, 2-Propenoic acid, 3-sulfopropyl ester, potassium salt (1:1), 3-Sulfopropyl acrylate potassium salt, Acrylic acid 3-sulfopropyl ester potassium salt, Acrylic acid, ester with 3-hydroxy-1-propanesulfonic acid potassium salt, Potassium 3-(acryloyloxy)-1-propanesulfonate, Potassium 3-acryloyloxypropanesulfonate, Potassium 3-sulfopropyl acrylate, Ralu MER-SPA, SPA-K, Sulfopropyl acrylate potassium salt; object_uuid=fo-d592fd6b6ca80362 |
| 270,831 | consensus_match | cas_match_labels | — | {"31098-20-1":"exactMatch"} | group_key=potassium3-(acryloyloxy)propane-1-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'31098-20-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d592fd6b6ca80362: {'31098-20-1': 'exactMatch'} |
| 277,922 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Potassium 3-(acryloyloxy)propane-1-sulfonate' |
| 284,636 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | rdkit_post_consensus from 'C=CC(=O)OCCCS(=O)(=O)[O-].[K+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,080 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10KO5S"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 349,168 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/91bfecb6-943a-… | associations resolved on the elementary layer |
| 400,660 | 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/20260821T1554374006150000/16211 | prefLabel | ef:agent/bootstrap_labels | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v0 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v1 |
| ef:activity/change/20260821T1554374006150000/16212 | name | ef:agent/bootstrap_labels | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v1 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v2 |
| ef:activity/change/20260821T1554374006150000/16213 | synonyms | ef:agent/bootstrap_labels | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v2 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v3 |
| ef:activity/change/20260821T1554374006150000/136344 | context | ef:agent/default_context_mapping | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v3 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v4 |
| ef:activity/change/20260821T1554374006150000/136345 | context_iri | ef:agent/default_context_mapping | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v4 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v5 |
| ef:activity/change/20260821T1554374006150000/218662 | unit_iri | ef:agent/unit_normalization | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v5 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v6 |
| ef:activity/change/20260821T1554374006150000/224815 | prefLabel | ef:agent/normalize_name_case | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v6 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v7 |
| ef:activity/change/20260821T1554374006150000/242432 | properties | ef:agent/enrich_references | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v7 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v8 |
| ef:activity/change/20260821T1554374006150000/242433 | skos_definition | ef:agent/enrich_references | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v8 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v9 |
| ef:activity/change/20260821T1554374006150000/242434 | references | ef:agent/enrich_references | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v9 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v10 |
| ef:activity/change/20260821T1554374006150000/252716 | properties | ef:agent/rdkit_pre_consensus | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v10 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v11 |
| ef:activity/change/20260821T1554374006150000/270830 | altLabel | ef:agent/consensus_match | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v11 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v12 |
| ef:activity/change/20260821T1554374006150000/270831 | cas_match_labels | ef:agent/consensus_match | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v12 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v13 |
| ef:activity/change/20260821T1554374006150000/277922 | properties | ef:agent/opsin_iupac | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v13 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v14 |
| ef:activity/change/20260821T1554374006150000/284636 | properties | ef:agent/rdkit_post_consensus | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v14 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v15 |
| ef:activity/change/20260821T1554374006150000/287080 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v15 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v16 |
| ef:activity/change/20260821T1554374006150000/349168 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v16 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v17 |
| ef:activity/change/20260821T1554374006150000/400660 | types | ef:agent/link_flows_to_their_substance | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v17 | ef:flow/91bfecb6-943a-48a0-aebf-b3fcdf3e6e45/v18 |