Acetylcysteine
Everything that changed this flow. Back to the flow
dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'A 7250' (grade code), 'NSC 111180' (registry 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=acetylcysteine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'616-91-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-421b84f8b17ac457: {'616-91-1': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['616-91-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28939']; candidate_pubchem_cids=[581, 12035, 94364, 7043949, 24758534]; selected_pubchem_cids=[12035]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,459 | bootstrap_labels | prefLabel | — | [{"@value":"acetylcysteine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 18,460 | bootstrap_labels | name | acetylcysteine | — | Purged legacy name field to enforce prefLabel usage |
| 18,461 | bootstrap_labels | synonyms | ["organic","acetylcysteine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 181,434 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 181,435 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 219,372 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,300 | normalize_name_case | prefLabel | [{"@value":"acetylcysteine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Acetylcysteine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,421 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,422 | enrich_references | skos_definition | — | [{"@value":"An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.","@langu… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,423 | enrich_references | references | [] | [{"@id":"drugcentral:66","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"co… | Added references with provenance; cas_numbers=['616-91-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28939']; candidate_pubchem_cids=[581, 12035, 94364, 7043949, 24758534]; selected_pubchem_cids=[12035]; 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 |
| 253,286 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | rdkit_pre_consensus from 'CC(=O)NC(CS)C(=O)O'; added: inchi2d_string, monoisotopic_mass |
| 256,801 | chebi_altlabels | altLabel | [] | [{"@value":"(2R)-2-acetylamino-3-sulfanylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,526 | consensus_match | altLabel | [{"@value":"(2R)-2-acetylamino-3-sulfanylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab… | [{"@value":"(2R)-2-acetylamino-3-sulfanylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab… | group_key=acetylcysteine||dimension=Environmental > media=Water > water_body=Unknown; cas=616-91-1; added Common Chemistry CAS names as altLabel: (2<em>R</em>)-2Acetamido-3-sulfanylpropanoic acid, (2R)-2-Acetamido-3-sulfanylpropanoic acid, (<em>R</em>)-<em>N</em>-Acetylcysteine, <em>N</em>-Acetyl-(<em>R</em>)-cysteine, <em>N</em><sup>α</sup>-Acetylcysteine, <span class="text-smallcaps">L</span>-<em>N</em>-Acetylcysteine, <span class="text-smallcaps">L</span>-Cysteine, <em>N</em>-acetyl-, A 7250, ACC, Ac-Cys-OH, Acetadote, Acetilcysteina, Airbron, Asist, Broncholysin, Broncholysin (mucolytic), Brunac, Cysteine, <em>N</em>-acetyl-, <span class="text-smallcaps">L</span>-, Cysteplus, Exomuc, Fabrol, Fluatox, Fluibiotic, Fluimicil, Fluimicil Infantil, Fluimucetin, Fluimucil, Fluimucil Antidot, Flumil, Fluprowit, Hypotears, Lysomucil, MeSH ID: D000111, Mentopin, Mercapturic acid, (<em>R</em>)-, Mucinac, Muco Sanigen, Mucocedyl, Mucofilin, Mucolator, Mucolyticum, Mucolyticum-Lappe, Mucolytikum Lappe, Mucomelt, Mucomyst, Mucosolvin, Mucosten, Mucret, NSC 111180, Neo-Fluimucil, Parvolex, Respaire, Syntemucol, Tixair, Trom; object_uuid=fo-421b84f8b17ac457 |
| 263,527 | consensus_match | cas_match_labels | — | {"616-91-1":"exactMatch"} | group_key=acetylcysteine||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'616-91-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-421b84f8b17ac457: {'616-91-1': 'exactMatch'} |
| 278,496 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Acetylcysteine' |
| 285,262 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | rdkit_post_consensus from 'CC(=O)N[C@@H](CS)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,967 | strip_catalogue_altlabels | altLabel | [{"@value":"(2R)-2-acetylamino-3-sulfanylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab… | [{"@value":"(2R)-2-acetylamino-3-sulfanylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlab… | Removed 2 catalogue altLabel value(s): 'A 7250' (grade code), 'NSC 111180' (registry code) |
| 371,743 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/dcdc06cc-c90b-… | associations resolved on the elementary layer |
| 392,863 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | typed the way the ontology types it |
| 401,534 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 401,535 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NO3S"]… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1554374006150000/18459 | prefLabel | ef:agent/bootstrap_labels | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v0 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v1 |
| ef:activity/change/20260821T1554374006150000/18460 | name | ef:agent/bootstrap_labels | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v1 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v2 |
| ef:activity/change/20260821T1554374006150000/18461 | synonyms | ef:agent/bootstrap_labels | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v2 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v3 |
| ef:activity/change/20260821T1554374006150000/181434 | context | ef:agent/default_context_mapping | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v3 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v4 |
| ef:activity/change/20260821T1554374006150000/181435 | context_iri | ef:agent/default_context_mapping | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v4 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v5 |
| ef:activity/change/20260821T1554374006150000/219372 | unit_iri | ef:agent/unit_normalization | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v5 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v6 |
| ef:activity/change/20260821T1554374006150000/225300 | prefLabel | ef:agent/normalize_name_case | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v6 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v7 |
| ef:activity/change/20260821T1554374006150000/244421 | properties | ef:agent/enrich_references | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v7 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v8 |
| ef:activity/change/20260821T1554374006150000/244422 | skos_definition | ef:agent/enrich_references | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v8 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v9 |
| ef:activity/change/20260821T1554374006150000/244423 | references | ef:agent/enrich_references | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v9 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v10 |
| ef:activity/change/20260821T1554374006150000/253286 | properties | ef:agent/rdkit_pre_consensus | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v10 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v11 |
| ef:activity/change/20260821T1554374006150000/256801 | altLabel | ef:agent/chebi_altlabels | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v11 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v12 |
| ef:activity/change/20260821T1554374006150000/263526 | altLabel | ef:agent/consensus_match | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v12 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v13 |
| ef:activity/change/20260821T1554374006150000/263527 | cas_match_labels | ef:agent/consensus_match | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v13 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v14 |
| ef:activity/change/20260821T1554374006150000/278496 | properties | ef:agent/opsin_iupac | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v14 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v15 |
| ef:activity/change/20260821T1554374006150000/285262 | properties | ef:agent/rdkit_post_consensus | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v15 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v16 |
| ef:activity/change/20260821T1554374006150000/290967 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v16 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v17 |
| ef:activity/change/20260821T1554374006150000/371743 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v17 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v18 |
| ef:activity/change/20260821T1554374006150000/392863 | properties | ef:agent/normalise_property_values | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v18 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v19 |
| ef:activity/change/20260821T1554374006150000/401534 | types | ef:agent/link_flows_to_their_substance | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v19 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v20 |
| ef:activity/change/20260821T1554374006150000/401535 | properties | ef:agent/link_flows_to_their_substance | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v20 | ef:flow/dcdc06cc-c90b-4d69-8d5e-dd101b74e8d4/v21 |