Cimetidine
Everything that changed this flow. Back to the flow
4ec781cc-1ea6-441f-8c5b-2d02bcba15ce
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 335308' (registry code), 'SKF 92334' (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=cimetidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51481-61-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0e0e89de2aa11af9: {'51481-61-9': '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=['51481-61-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_3699']; candidate_pubchem_cids=[2756, 15764312, 77520339, 136257836]; selected_pubchem_cids=[2756]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 13,051 | bootstrap_labels | prefLabel | — | [{"@value":"cimetidine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 13,052 | bootstrap_labels | name | cimetidine | — | Purged legacy name field to enforce prefLabel usage |
| 13,053 | bootstrap_labels | synonyms | ["organic","cimetidine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 96,786 | 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 |
| 96,787 | 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 |
| 217,654 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,114 | normalize_name_case | prefLabel | [{"@value":"cimetidine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Cimetidine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,560 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,561 | enrich_references | skos_definition | — | [{"@value":"A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1,… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,562 | enrich_references | references | [] | [{"@id":"drugcentral:645","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['51481-61-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_3699']; candidate_pubchem_cids=[2756, 15764312, 77520339, 136257836]; selected_pubchem_cids=[2756]; 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 |
| 251,877 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | rdkit_pre_consensus from 'CC1=C(N=CN1)CSCCNC(=NC)NC#N'; added: monoisotopic_mass |
| 256,165 | chebi_altlabels | altLabel | [] | [{"@value":"1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine","@language":"en","source":{"pro… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,170 | consensus_match | altLabel | [{"@value":"1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine","@language":"en","source":{"pro… | [{"@value":"1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine","@language":"en","source":{"pro… | group_key=cimetidine||dimension=Environmental > media=Water > water_body=Ocean; cas=51481-61-9; added Common Chemistry CAS names as altLabel: 1-Cyano-2-methyl-3-[2-[(5-methyl-1<em>H</em>-imidazol-4-yl)methylsulfanyl]ethyl]guanidine, <em>N</em>-Cyano-<em>N</em>′-methyl-<em>N</em>′′-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine, <em>N</em>-Cyano-<em>N</em>′′-methyl-<em>N</em>′-[2-[[(4-methyl-1<em>H</em>-imidazol-5-yl)methyl]thio]ethyl]guanidine, Acibilin, Acinil, Biomet, Cimal, Cimetum, Dyspamet, Edalene, Eureceptor, Fremet, Gastromet, Guanidine, <em>N</em>-cyano-<em>N</em>′-methyl-<em>N</em>′′-[2-[[(5-methyl-1<em>H</em>-imidazol-4-yl)methyl]thio]ethyl]-, Guanidine, <em>N</em>-cyano-<em>N</em>′′-methyl-<em>N</em>′-[2-[[(4-methyl-1<em>H</em>-imidazol-5-yl)methyl]thio]ethyl]-, Histodil, MeSH ID: D002927, NSC 335308, Peptol, SKF 92334, Tagamet, Tagamet HB, Tamagret, Tametin, Tratul, Ulcedin, Ulcedine, Ulcerex, Ulcimet, Ulcofalk, Ulcomedina, Ulcomet, Ulhys; object_uuid=fo-0e0e89de2aa11af9 |
| 265,171 | consensus_match | cas_match_labels | — | {"51481-61-9":"exactMatch"} | group_key=cimetidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51481-61-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0e0e89de2aa11af9: {'51481-61-9': 'exactMatch'} |
| 277,069 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine' |
| 283,725 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | rdkit_post_consensus from 'CN=C(NC#N)NCCSCc1nc[nH]c1C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,936 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine","@language":"en","source":{"pro… | [{"@value":"1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine","@language":"en","source":{"pro… | Removed 2 catalogue altLabel value(s): 'NSC 335308' (registry code), 'SKF 92334' (grade code) |
| 329,391 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4ec781cc-1ea6-… | associations resolved on the elementary layer |
| 391,420 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16N6S"… | typed the way the ontology types it |
| 399,445 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/13051 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v0 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v1 |
| ef:activity/change/20260821T1554374006150000/13052 | name | ef:agent/bootstrap_labels | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v1 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v2 |
| ef:activity/change/20260821T1554374006150000/13053 | synonyms | ef:agent/bootstrap_labels | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v2 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v3 |
| ef:activity/change/20260821T1554374006150000/96786 | context | ef:agent/default_context_mapping | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v3 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v4 |
| ef:activity/change/20260821T1554374006150000/96787 | context_iri | ef:agent/default_context_mapping | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v4 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v5 |
| ef:activity/change/20260821T1554374006150000/217654 | unit_iri | ef:agent/unit_normalization | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v5 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v6 |
| ef:activity/change/20260821T1554374006150000/224114 | prefLabel | ef:agent/normalize_name_case | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v6 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v7 |
| ef:activity/change/20260821T1554374006150000/239560 | properties | ef:agent/enrich_references | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v7 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v8 |
| ef:activity/change/20260821T1554374006150000/239561 | skos_definition | ef:agent/enrich_references | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v8 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v9 |
| ef:activity/change/20260821T1554374006150000/239562 | references | ef:agent/enrich_references | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v9 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v10 |
| ef:activity/change/20260821T1554374006150000/251877 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v10 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v11 |
| ef:activity/change/20260821T1554374006150000/256165 | altLabel | ef:agent/chebi_altlabels | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v11 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v12 |
| ef:activity/change/20260821T1554374006150000/265170 | altLabel | ef:agent/consensus_match | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v12 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v13 |
| ef:activity/change/20260821T1554374006150000/265171 | cas_match_labels | ef:agent/consensus_match | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v13 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v14 |
| ef:activity/change/20260821T1554374006150000/277069 | properties | ef:agent/opsin_iupac | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v14 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v15 |
| ef:activity/change/20260821T1554374006150000/283725 | properties | ef:agent/rdkit_post_consensus | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v15 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v16 |
| ef:activity/change/20260821T1554374006150000/289936 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v16 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v17 |
| ef:activity/change/20260821T1554374006150000/329391 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v17 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v18 |
| ef:activity/change/20260821T1554374006150000/391420 | properties | ef:agent/normalise_property_values | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v18 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v19 |
| ef:activity/change/20260821T1554374006150000/399445 | types | ef:agent/link_flows_to_their_substance | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v19 | ef:flow/4ec781cc-1ea6-441f-8c5b-2d02bcba15ce/v20 |