Cimetidine
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-0e0e89de2aa11af9
Changes
56| # | 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 |
| 47,205 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 47,206 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 67,091 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 67,092 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 72,723 | 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 |
| 72,724 | 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 |
| 78,641 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 78,642 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 84,041 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 84,042 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 96,789 | 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 |
| 96,790 | 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 |
| 99,009 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 99,010 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 143,117 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 143,118 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 146,131 | 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 |
| 146,132 | 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 |
| 150,989 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 150,990 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 158,097 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 158,098 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 191,965 | 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 |
| 191,966 | 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 |
| 212,335 | 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 |
| 212,336 | 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 |
| 217,657 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,118 | 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) |
| 239,564 | 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) |
| 239,565 | 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 |
| 239,566 | 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 |
| 251,884 | 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 |
| 256,173 | 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) |
| 265,172 | 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 |
| 265,173 | 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'} |
| 277,075 | 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' |
| 283,731 | 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 |
| 289,949 | 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) |
| 304,668 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/10ab632e-a6dc-… | associations resolved on the elementary layer |
| 314,601 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2d95a08a-7f41-… | associations resolved on the elementary layer |
| 317,416 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/35f6637a-f881-… | associations resolved on the elementary layer |
| 320,372 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3e655a9f-604f-… | associations resolved on the elementary layer |
| 323,072 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47d639b6-25bb-… | associations resolved on the elementary layer |
| 329,429 | 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 |
| 330,539 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/52988c31-2e5b-… | associations resolved on the elementary layer |
| 352,595 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9cdb9f6b-c452-… | associations resolved on the elementary layer |
| 354,118 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a1afc954-61f2-… | associations resolved on the elementary layer |