Calcium Bis(12-hydroxyoctadecanoate)
Everything that changed this flow. Back to the flow
8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 5 catalogue altLabel value(s): 'CS 6' (grade code), 'CS 600' (grade code), 'CS 600 (fatty acid)' (grade code), 'CSE 6' (grade code), 'SC 120H' (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=calciumbis(12-hydroxyoctadecanoate)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3159-62-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4851fcb8a197a29a: {'3159-62-4': '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=['3159-62-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[102376, 57377142, 87077056, 131877637]; selected_pubchem_cids=[87077056]; 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 |
|---|---|---|---|---|---|
| 11,478 | bootstrap_labels | prefLabel | — | [{"@value":"calcium bis(12-hydroxyoctadecanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 11,479 | bootstrap_labels | name | calcium bis(12-hydroxyoctadecanoate) | — | Purged legacy name field to enforce prefLabel usage |
| 11,480 | bootstrap_labels | synonyms | ["calcium(2+)12-hydroxyoctadecanoate","calcium12-hydroxystearate","calciumbis(12-hydroxyoctadecanoate)","calcium bis(12… | [] | Removed legacy synonyms field in favor of structured labels |
| 133,190 | 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 |
| 133,191 | 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 |
| 217,145 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,771 | normalize_name_case | prefLabel | [{"@value":"calcium bis(12-hydroxyoctadecanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"Calcium Bis(12-hydroxyoctadecanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,100 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36CaO3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,101 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,102 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=3159-62-4","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3159-62-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[102376, 57377142, 87077056, 131877637]; selected_pubchem_cids=[87077056]; 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 |
| 251,454 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36CaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36CaO3… | rdkit_pre_consensus from 'CCCCCCC(CCCCCCCCCCC(=O)O)O.[Ca]'; added: molecular_mass, monoisotopic_mass |
| 264,755 | consensus_match | altLabel | [] | [{"@value":"12-Hydroxyoctadecanoic acid calcium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | group_key=calciumbis(12-hydroxyoctadecanoate)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=3159-62-4; added Common Chemistry CAS names as altLabel: 12-Hydroxyoctadecanoic acid calcium salt (2:1), 12-Hydroxystearic acid calcium salt, Advastab CS 6, CS 6, CS 600, CS 600 (fatty acid), CS 6CP, CSE 6, Calcium 12-hydroxyoctadecanoate, Calcium 12-hydroxystearate, Calcium bis(12-hydroxystearate), Calcium di-12-hydroxystearate, Calcium hydroxystearate, Daiwax OHC, LIGA, Ligastar CA 12 OXY, NF 12Ca, Octadecanoic acid, 12-hydroxy-, calcium salt (2:1), Ricsoap SC, SC 120H, SC 12OH, SCI-HCS; object_uuid=fo-4851fcb8a197a29a |
| 264,756 | consensus_match | cas_match_labels | — | {"3159-62-4":"exactMatch"} | group_key=calciumbis(12-hydroxyoctadecanoate)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3159-62-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4851fcb8a197a29a: {'3159-62-4': 'exactMatch'} |
| 276,633 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36CaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36CaO3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Calcium Bis(12-hydroxyoctadecanoate)' |
| 283,258 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36CaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36CaO3… | rdkit_post_consensus from 'CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Ca+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,673 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36CaO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H70CaO6… | withhold_contradicted_composition: the registry registers [(('C', 36), ('Ca', 1), ('O', 6))], contradicting ['C18H36CaO3'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 289,625 | strip_catalogue_altlabels | altLabel | [{"@value":"12-Hydroxyoctadecanoic acid calcium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | [{"@value":"12-Hydroxyoctadecanoic acid calcium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | Removed 5 catalogue altLabel value(s): 'CS 6' (grade code), 'CS 600' (grade code), 'CS 600 (fatty acid)' (grade code), 'CSE 6' (grade code), 'SC 120H' (grade code) |
| 347,590 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8c212dcf-29f5-… | associations resolved on the elementary layer |
| 390,989 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H70CaO6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H70CaO6… | typed the way the ontology types it |
| 398,841 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1554374006150000/11478 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v0 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v1 |
| ef:activity/change/20260821T1554374006150000/11479 | name | ef:agent/bootstrap_labels | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v1 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v2 |
| ef:activity/change/20260821T1554374006150000/11480 | synonyms | ef:agent/bootstrap_labels | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v2 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v3 |
| ef:activity/change/20260821T1554374006150000/133190 | context | ef:agent/default_context_mapping | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v3 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v4 |
| ef:activity/change/20260821T1554374006150000/133191 | context_iri | ef:agent/default_context_mapping | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v4 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v5 |
| ef:activity/change/20260821T1554374006150000/217145 | unit_iri | ef:agent/unit_normalization | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v5 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v6 |
| ef:activity/change/20260821T1554374006150000/223771 | prefLabel | ef:agent/normalize_name_case | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v6 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v7 |
| ef:activity/change/20260821T1554374006150000/238100 | properties | ef:agent/enrich_references | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v7 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v8 |
| ef:activity/change/20260821T1554374006150000/238101 | skos_definition | ef:agent/enrich_references | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v8 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v9 |
| ef:activity/change/20260821T1554374006150000/238102 | references | ef:agent/enrich_references | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v9 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v10 |
| ef:activity/change/20260821T1554374006150000/251454 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v10 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v11 |
| ef:activity/change/20260821T1554374006150000/264755 | altLabel | ef:agent/consensus_match | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v11 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v12 |
| ef:activity/change/20260821T1554374006150000/264756 | cas_match_labels | ef:agent/consensus_match | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v12 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v13 |
| ef:activity/change/20260821T1554374006150000/276633 | properties | ef:agent/opsin_iupac | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v13 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v14 |
| ef:activity/change/20260821T1554374006150000/283258 | properties | ef:agent/rdkit_post_consensus | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v14 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v15 |
| ef:activity/change/20260821T1554374006150000/286673 | properties | ef:agent/withhold_contradicted_composition | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v15 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v16 |
| ef:activity/change/20260821T1554374006150000/289625 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v16 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v17 |
| ef:activity/change/20260821T1554374006150000/347590 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v17 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v18 |
| ef:activity/change/20260821T1554374006150000/390989 | properties | ef:agent/normalise_property_values | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v18 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v19 |
| ef:activity/change/20260821T1554374006150000/398841 | types | ef:agent/link_flows_to_their_substance | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v19 | ef:flow/8c212dcf-29f5-48f5-b4c2-bbb4d1f2827a/v20 |