Creatine
Everything that changed this flow. Back to the flow
58c112a2-0146-430d-aac5-07b464287d42
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8752' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=57-00-1; cc_chebi_agreed_name='Creatine'; object_uuid=fo-03bd956bd1220bb8 |
| cas_match_labels | 1 | consensus_match | group_key=n-carbamimidoyl-n-methylglycine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-00-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-03bd956bd1220bb8: {'57-00-1': '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 air > Emissions to air, unspecified (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['57-00-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16919']; candidate_pubchem_cids=[586, 7058172, 25021459, 53437528]; selected_pubchem_cids=[586]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,323 | bootstrap_labels | prefLabel | — | [{"@value":"n-carbamimidoyl-n-methylglycine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 6,324 | bootstrap_labels | name | n-carbamimidoyl-n-methylglycine | — | Purged legacy name field to enforce prefLabel usage |
| 6,325 | bootstrap_labels | synonyms | ["organic","n-amidinosarcosine","creapure","creatinemonohydrate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 102,534 | 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) |
| 102,535 | 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) |
| 215,452 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,548 | normalize_name_case | prefLabel | [{"@value":"n-carbamimidoyl-n-methylglycine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"N-carbamimidoyl-n-methylglycine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,257 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,258 | enrich_references | skos_definition | — | [{"@value":"A glycine derivative having methyl and amidino groups attached to the nitrogen.","@language":"en","provenan… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,259 | enrich_references | references | [] | [{"@id":"drugcentral:4661","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['57-00-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16919']; candidate_pubchem_cids=[586, 7058172, 25021459, 53437528]; selected_pubchem_cids=[586]; 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 |
| 250,066 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | rdkit_pre_consensus from 'CN(CC(=O)O)C(=N)N'; added: monoisotopic_mass |
| 255,163 | chebi_altlabels | altLabel | [] | [{"@value":"((amino(imino)methyl)(methyl)amino)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,516 | consensus_match | prefLabel | [{"@value":"N-carbamimidoyl-n-methylglycine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Creatine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consen… | cas=57-00-1; cc_chebi_agreed_name='Creatine'; object_uuid=fo-03bd956bd1220bb8 |
| 269,517 | consensus_match | altLabel | [{"@value":"((amino(imino)methyl)(methyl)amino)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"((amino(imino)methyl)(methyl)amino)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | cas=57-00-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-03bd956bd1220bb8 |
| 269,518 | consensus_match | altLabel | [{"@value":"((amino(imino)methyl)(methyl)amino)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"((amino(imino)methyl)(methyl)amino)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | group_key=n-carbamimidoyl-n-methylglycine||dimension=Environmental > media=Water > water_body=Long-term; cas=57-00-1; added Common Chemistry CAS names as altLabel: (<em>N</em>-Methyl-guanidino)-acetic acid, 2-(1-Methylguanidino)acetic acid, 2-(<em>N</em>-Methylcarbamimidamido)acetic acid, 2-[(C-Azaniumylcarbonimidoyl)-methylamino]acetate, Cosmocair C 100, Glycine, <em>N</em>-(aminoiminomethyl)-<em>N</em>-methyl-, Kre-Alkalyn, MeSH ID: D003401, Methylguanidoacetic acid, NSC 8752, Neotine, Phosphagen, Tego Cosmo C 100, [<em>N</em>-(Amidino)-<em>N</em>-methylamino]acetic acid; object_uuid=fo-03bd956bd1220bb8 |
| 269,519 | consensus_match | cas_match_labels | — | {"57-00-1":"exactMatch"} | group_key=n-carbamimidoyl-n-methylglycine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-00-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-03bd956bd1220bb8: {'57-00-1': 'exactMatch'} |
| 275,205 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Creatine' |
| 281,705 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | rdkit_post_consensus from 'CN(CC(=O)O)C(=N)N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,542 | strip_catalogue_altlabels | altLabel | [{"@value":"((amino(imino)methyl)(methyl)amino)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"((amino(imino)methyl)(methyl)amino)acetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Removed 1 catalogue altLabel value(s): 'NSC 8752' (registry code) |
| 332,264 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/58c112a2-0146-… | associations resolved on the elementary layer |
| 389,507 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N3O2"]… | typed the way the ontology types it |
| 396,695 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/6323 | prefLabel | ef:agent/bootstrap_labels | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v0 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v1 |
| ef:activity/change/20260822T0600486828500000/6324 | name | ef:agent/bootstrap_labels | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v1 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v2 |
| ef:activity/change/20260822T0600486828500000/6325 | synonyms | ef:agent/bootstrap_labels | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v2 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v3 |
| ef:activity/change/20260822T0600486828500000/102534 | context | ef:agent/default_context_mapping | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v3 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v4 |
| ef:activity/change/20260822T0600486828500000/102535 | context_iri | ef:agent/default_context_mapping | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v4 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v5 |
| ef:activity/change/20260822T0600486828500000/215452 | unit_iri | ef:agent/unit_normalization | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v5 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v6 |
| ef:activity/change/20260822T0600486828500000/222548 | prefLabel | ef:agent/normalize_name_case | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v6 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v7 |
| ef:activity/change/20260822T0600486828500000/233257 | properties | ef:agent/enrich_references | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v7 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v8 |
| ef:activity/change/20260822T0600486828500000/233258 | skos_definition | ef:agent/enrich_references | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v8 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v9 |
| ef:activity/change/20260822T0600486828500000/233259 | references | ef:agent/enrich_references | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v9 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v10 |
| ef:activity/change/20260822T0600486828500000/250066 | properties | ef:agent/rdkit_pre_consensus | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v10 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v11 |
| ef:activity/change/20260822T0600486828500000/255163 | altLabel | ef:agent/chebi_altlabels | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v11 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v12 |
| ef:activity/change/20260822T0600486828500000/269516 | prefLabel | ef:agent/consensus_match | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v12 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v13 |
| ef:activity/change/20260822T0600486828500000/269517 | altLabel | ef:agent/consensus_match | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v13 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v14 |
| ef:activity/change/20260822T0600486828500000/269518 | altLabel | ef:agent/consensus_match | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v14 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v15 |
| ef:activity/change/20260822T0600486828500000/269519 | cas_match_labels | ef:agent/consensus_match | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v15 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v16 |
| ef:activity/change/20260822T0600486828500000/275205 | properties | ef:agent/opsin_iupac | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v16 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v17 |
| ef:activity/change/20260822T0600486828500000/281705 | properties | ef:agent/rdkit_post_consensus | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v17 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v18 |
| ef:activity/change/20260822T0600486828500000/288542 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v18 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v19 |
| ef:activity/change/20260822T0600486828500000/332264 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v19 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v20 |
| ef:activity/change/20260822T0600486828500000/389507 | properties | ef:agent/normalise_property_values | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v20 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v21 |
| ef:activity/change/20260822T0600486828500000/396695 | types | ef:agent/link_flows_to_their_substance | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v21 | ef:flow/58c112a2-0146-430d-aac5-07b464287d42/v22 |