Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate
Everything that changed this flow. Back to the flow
4addb13c-1440-474d-96f4-5e0c58c131b1
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=sodium3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Air > strata=Unknown; cas=102601-34-3; added Common Chemistry CAS names as altLabel: 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt, 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1); object_uuid=fo-056a00a97920ae9e |
| cas_match_labels | 1 | consensus_match | group_key=sodium3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'102601-34-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-056a00a97920ae9e: {'102601-34-3': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['102601-34-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[7364887, 16219093, 25000353]; selected_pubchem_cids=[16219093]; 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 |
|---|---|---|---|---|---|
| 22,357 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 22,358 | bootstrap_labels | name | sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 22,359 | bootstrap_labels | synonyms | ["1-propanesulfonicacid,3-(cyclohexylamino)-2-hydroxy-,monosodiumsalt","3-(cyclohexylamino)-2-hydroxy-1-propanesulfonic… | [] | Removed legacy synonyms field in favor of structured labels |
| 85,665 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 85,666 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 220,445 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,129 | normalize_name_case | prefLabel | [{"@value":"sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,390 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NNaO4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,391 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,392 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=102601-34-3","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['102601-34-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[7364887, 16219093, 25000353]; selected_pubchem_cids=[16219093]; 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 |
| 254,153 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NNaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NNaO4… | rdkit_pre_consensus from 'C1CCC(CC1)NCC(CS(=O)(=O)O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,761 | consensus_match | altLabel | [] | [{"@value":"1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt","@language":"en","source":{"prov:w… | group_key=sodium3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Air > strata=Unknown; cas=102601-34-3; added Common Chemistry CAS names as altLabel: 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt, 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1); object_uuid=fo-056a00a97920ae9e |
| 271,762 | consensus_match | cas_match_labels | — | {"102601-34-3":"exactMatch"} | group_key=sodium3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'102601-34-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-056a00a97920ae9e: {'102601-34-3': 'exactMatch'} |
| 279,354 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NNaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NNaO4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate' |
| 286,228 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H19NNaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18NNaO4… | rdkit_post_consensus from 'O=S(=O)([O-])CC(O)CNC1CCCCC1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,235 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18NNaO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18NNaO4… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 323,885 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4addb13c-1440-… | associations resolved on the elementary layer |
| 402,931 | 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/20260920T1042228874600000/22357 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v0 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v1 |
| ef:activity/change/20260920T1042228874600000/22358 | name | ef:agent/bootstrap_labels | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v1 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v2 |
| ef:activity/change/20260920T1042228874600000/22359 | synonyms | ef:agent/bootstrap_labels | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v2 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v3 |
| ef:activity/change/20260920T1042228874600000/85665 | context | ef:agent/default_context_mapping | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v3 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v4 |
| ef:activity/change/20260920T1042228874600000/85666 | context_iri | ef:agent/default_context_mapping | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v4 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v5 |
| ef:activity/change/20260920T1042228874600000/220445 | unit_iri | ef:agent/unit_normalization | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v5 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v6 |
| ef:activity/change/20260920T1042228874600000/226129 | prefLabel | ef:agent/normalize_name_case | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v6 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v7 |
| ef:activity/change/20260920T1042228874600000/247390 | properties | ef:agent/enrich_references | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v7 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v8 |
| ef:activity/change/20260920T1042228874600000/247391 | skos_definition | ef:agent/enrich_references | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v8 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v9 |
| ef:activity/change/20260920T1042228874600000/247392 | references | ef:agent/enrich_references | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v9 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v10 |
| ef:activity/change/20260920T1042228874600000/254153 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v10 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v11 |
| ef:activity/change/20260920T1042228874600000/271761 | altLabel | ef:agent/consensus_match | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v11 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v12 |
| ef:activity/change/20260920T1042228874600000/271762 | cas_match_labels | ef:agent/consensus_match | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v12 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v13 |
| ef:activity/change/20260920T1042228874600000/279354 | properties | ef:agent/opsin_iupac | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v13 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v14 |
| ef:activity/change/20260920T1042228874600000/286228 | properties | ef:agent/rdkit_post_consensus | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v14 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v15 |
| ef:activity/change/20260920T1042228874600000/287235 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v15 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v16 |
| ef:activity/change/20260920T1042228874600000/323885 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v16 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v17 |
| ef:activity/change/20260920T1042228874600000/402931 | types | ef:agent/link_flows_to_their_substance | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v17 | ef:flow/4addb13c-1440-474d-96f4-5e0c58c131b1/v18 |