Tretinoin
Everything that changed this flow. Back to the flow
a33971a6-9453-461a-9664-8ecd81ac0a01
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, link_flows_to_their_substance, normalise_property_values, rdkit_post_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 122578' (registry code), 'NSC 122758' (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=tretinoin||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'302-79-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-61f8e88124ac98b8: {'302-79-4': '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=['302-79-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15367']; candidate_pubchem_cids=[5538, 444795, 449171, 5282379, 6419707, 6419708, 12358678, 88525859, 145826768]; selected_pubchem_cids=[444795]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,535 | bootstrap_labels | prefLabel | — | [{"@value":"tretinoin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Bootstrapped prefLabel from legacy name field |
| 14,536 | bootstrap_labels | name | tretinoin | — | Purged legacy name field to enforce prefLabel usage |
| 14,537 | bootstrap_labels | synonyms | ["(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid","(2E,4E,6E,8E)-3,7-dimethy… | [] | Removed legacy synonyms field in favor of structured labels |
| 146,964 | 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 |
| 146,965 | 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 |
| 218,137 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,454 | normalize_name_case | prefLabel | [{"@value":"tretinoin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | [{"@value":"Tretinoin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,944 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H28O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,945 | enrich_references | skos_definition | — | [{"@value":"A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.","@language":"en","prov… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,946 | enrich_references | references | [] | [{"@id":"drugcentral:2722","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['302-79-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15367']; candidate_pubchem_cids=[5538, 444795, 449171, 5282379, 6419707, 6419708, 12358678, 88525859, 145826768]; selected_pubchem_cids=[444795]; 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 |
| 256,327 | chebi_altlabels | altLabel | [] | [{"@value":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid","@language":"en"… | Added 39 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,740 | consensus_match | altLabel | [{"@value":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid","@language":"en"… | [{"@value":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid","@language":"en"… | group_key=tretinoin||dimension=Environmental > media=Water > water_body=Long-term; cas=302-79-4; added Common Chemistry CAS names as altLabel: 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (<em>all</em>-<em>E</em>)-, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, <em>all</em>-<em>trans</em>-β-Retinoic acid, ATRA, Aberel, Airol, Aknoten, Atragen, Epi-Aberel, Eudyna, NSC 122578, NSC 122758, Retacnyl, Retin A, Retinoic acid, <em>all</em>-<em>trans</em>-, Vesnaroid, Vitamin A acid, <em>all</em>-<em>trans</em>-, Vitamin A<sub>1</sub> acid, <em>all</em>-<em>trans</em>-, β-Retinoic acid; object_uuid=fo-61f8e88124ac98b8 |
| 272,741 | consensus_match | cas_match_labels | — | {"302-79-4":"exactMatch"} | group_key=tretinoin||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'302-79-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-61f8e88124ac98b8: {'302-79-4': 'exactMatch'} |
| 284,163 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H28O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H28O2"]… | rdkit_post_consensus from 'CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,238 | strip_catalogue_altlabels | altLabel | [{"@value":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid","@language":"en"… | [{"@value":"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid","@language":"en"… | Removed 2 catalogue altLabel value(s): 'NSC 122578' (registry code), 'NSC 122758' (registry code) |
| 354,504 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a33971a6-9453-… | associations resolved on the elementary layer |
| 391,830 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H28O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H28O2"]… | typed the way the ontology types it |
| 400,032 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,033 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H28O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H28O2"]… | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1554374006150000/14535 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v0 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v1 |
| ef:activity/change/20260821T1554374006150000/14536 | name | ef:agent/bootstrap_labels | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v1 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v2 |
| ef:activity/change/20260821T1554374006150000/14537 | synonyms | ef:agent/bootstrap_labels | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v2 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v3 |
| ef:activity/change/20260821T1554374006150000/146964 | context | ef:agent/default_context_mapping | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v3 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v4 |
| ef:activity/change/20260821T1554374006150000/146965 | context_iri | ef:agent/default_context_mapping | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v4 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v5 |
| ef:activity/change/20260821T1554374006150000/218137 | unit_iri | ef:agent/unit_normalization | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v5 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v6 |
| ef:activity/change/20260821T1554374006150000/224454 | prefLabel | ef:agent/normalize_name_case | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v6 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v7 |
| ef:activity/change/20260821T1554374006150000/240944 | properties | ef:agent/enrich_references | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v7 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v8 |
| ef:activity/change/20260821T1554374006150000/240945 | skos_definition | ef:agent/enrich_references | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v8 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v9 |
| ef:activity/change/20260821T1554374006150000/240946 | references | ef:agent/enrich_references | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v9 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v10 |
| ef:activity/change/20260821T1554374006150000/256327 | altLabel | ef:agent/chebi_altlabels | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v10 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v11 |
| ef:activity/change/20260821T1554374006150000/272740 | altLabel | ef:agent/consensus_match | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v11 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v12 |
| ef:activity/change/20260821T1554374006150000/272741 | cas_match_labels | ef:agent/consensus_match | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v12 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v13 |
| ef:activity/change/20260821T1554374006150000/284163 | properties | ef:agent/rdkit_post_consensus | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v13 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v14 |
| ef:activity/change/20260821T1554374006150000/290238 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v14 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v15 |
| ef:activity/change/20260821T1554374006150000/354504 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v15 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v16 |
| ef:activity/change/20260821T1554374006150000/391830 | properties | ef:agent/normalise_property_values | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v16 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v17 |
| ef:activity/change/20260821T1554374006150000/400032 | types | ef:agent/link_flows_to_their_substance | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v17 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v18 |
| ef:activity/change/20260821T1554374006150000/400033 | properties | ef:agent/link_flows_to_their_substance | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v18 | ef:flow/a33971a6-9453-461a-9664-8ecd81ac0a01/v19 |