Sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate
Everything that changed this flow. Back to the flow
183616c0-5e41-4cb8-aa50-80bc7f7e9821
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 3 catalogue altLabel value(s): 'COPS 1' (grade code), 'UCAN 1' (grade code), 'UCAN 8088' (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=sodium3-(allyloxy)-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'52556-42-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-17dcac1fef0bbc67: {'52556-42-0': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['52556-42-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[9323, 16212641, 23677323, 71463910, 133109286, 137832693]; selected_pubchem_cids=[16212641]; 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 |
|---|---|---|---|---|---|
| 15,564 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Bootstrapped prefLabel from legacy name field |
| 15,565 | bootstrap_labels | name | sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 15,566 | bootstrap_labels | synonyms | ["organic","sodium3-(allyloxy)-2-hydroxypropanesulphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 52,530 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 52,531 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 218,459 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,676 | normalize_name_case | prefLabel | [{"@value":"sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | [{"@value":"Sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,851 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12NaO5S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,852 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,853 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=52556-42-0","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['52556-42-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[9323, 16212641, 23677323, 71463910, 133109286, 137832693]; selected_pubchem_cids=[16212641]; 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 |
| 252,547 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12NaO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12NaO5S… | rdkit_pre_consensus from 'C=CCOCC(CS(=O)(=O)O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,751 | consensus_match | altLabel | [] | [{"@value":"1-Propanesulfonic acid, 2-hydroxy-3-(2-propen-1-yloxy)-, sodium salt (1:1)","@language":"en","source":{"pro… | group_key=sodium3-(allyloxy)-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; cas=52556-42-0; added Common Chemistry CAS names as altLabel: 1-Propanesulfonic acid, 2-hydroxy-3-(2-propen-1-yloxy)-, sodium salt (1:1), 1-Propanesulfonic acid, 2-hydroxy-3-(2-propenyloxy)-, monosodium salt, 3-Allyloxy-2-hydroxy-1-propanesulfonic acid sodium salt, AHPS, COPS 1, COPS-I, Cops I, Hanerchem HAPS, Rhodiapex CO 436, SAHS, Sipomer COPS 1, Sipomer COPS-I, Sodium 1-allyloxy-2-(hydroxypropyl)sulfonate, Sodium 1-allyloxy-2-hydroxypropane sulfonate, Sodium 2-hydroxy-3-allyloxypropanesulfonate, Sodium 3-allyloxy-2-hydroxy-1-propanesulfonate, UCAN 1, UCAN 8088; object_uuid=fo-17dcac1fef0bbc67 |
| 271,752 | consensus_match | cas_match_labels | — | {"52556-42-0":"exactMatch"} | group_key=sodium3-(allyloxy)-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'52556-42-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-17dcac1fef0bbc67: {'52556-42-0': 'exactMatch'} |
| 277,751 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12NaO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12NaO5S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate' |
| 284,450 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12NaO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO5S… | rdkit_post_consensus from 'C=CCOCC(O)CS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,058 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO5S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 290,429 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Propanesulfonic acid, 2-hydroxy-3-(2-propen-1-yloxy)-, sodium salt (1:1)","@language":"en","source":{"pro… | [{"@value":"1-Propanesulfonic acid, 2-hydroxy-3-(2-propen-1-yloxy)-, sodium salt (1:1)","@language":"en","source":{"pro… | Removed 3 catalogue altLabel value(s): 'COPS 1' (grade code), 'UCAN 1' (grade code), 'UCAN 8088' (grade code) |
| 307,291 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/183616c0-5e41-… | associations resolved on the elementary layer |
| 400,415 | 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/20260821T1122181958110000/15564 | prefLabel | ef:agent/bootstrap_labels | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v0 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v1 |
| ef:activity/change/20260821T1122181958110000/15565 | name | ef:agent/bootstrap_labels | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v1 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v2 |
| ef:activity/change/20260821T1122181958110000/15566 | synonyms | ef:agent/bootstrap_labels | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v2 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v3 |
| ef:activity/change/20260821T1122181958110000/52530 | context | ef:agent/default_context_mapping | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v3 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v4 |
| ef:activity/change/20260821T1122181958110000/52531 | context_iri | ef:agent/default_context_mapping | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v4 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v5 |
| ef:activity/change/20260821T1122181958110000/218459 | unit_iri | ef:agent/unit_normalization | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v5 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v6 |
| ef:activity/change/20260821T1122181958110000/224676 | prefLabel | ef:agent/normalize_name_case | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v6 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v7 |
| ef:activity/change/20260821T1122181958110000/241851 | properties | ef:agent/enrich_references | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v7 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v8 |
| ef:activity/change/20260821T1122181958110000/241852 | skos_definition | ef:agent/enrich_references | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v8 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v9 |
| ef:activity/change/20260821T1122181958110000/241853 | references | ef:agent/enrich_references | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v9 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v10 |
| ef:activity/change/20260821T1122181958110000/252547 | properties | ef:agent/rdkit_pre_consensus | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v10 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v11 |
| ef:activity/change/20260821T1122181958110000/271751 | altLabel | ef:agent/consensus_match | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v11 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v12 |
| ef:activity/change/20260821T1122181958110000/271752 | cas_match_labels | ef:agent/consensus_match | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v12 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v13 |
| ef:activity/change/20260821T1122181958110000/277751 | properties | ef:agent/opsin_iupac | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v13 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v14 |
| ef:activity/change/20260821T1122181958110000/284450 | properties | ef:agent/rdkit_post_consensus | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v14 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v15 |
| ef:activity/change/20260821T1122181958110000/287058 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v15 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v16 |
| ef:activity/change/20260821T1122181958110000/290429 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v16 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v17 |
| ef:activity/change/20260821T1122181958110000/307291 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v17 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v18 |
| ef:activity/change/20260821T1122181958110000/400415 | types | ef:agent/link_flows_to_their_substance | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v18 | ef:flow/183616c0-5e41-4cb8-aa50-80bc7f7e9821/v19 |