Calcium Bis(2-hydroxypropanoate)
Everything that changed this flow. Back to the flow
dceec519-4569-40ac-a1e5-f7f56e61a667
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 3 catalogue altLabel value(s): 'E 327' (grade code), 'Pationic 1230' (trade name), 'Pationic 1240' (trade name) |
| 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(2-hydroxypropanoate)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'814-80-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fa78a5616aecff08: {'814-80-2': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['814-80-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[13144, 115200, 165341, 521805, 9859247, 12598284, 17904027, 87057680, 91886518, 123133976]; selected_pubchem_cids=[87057680]; 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 |
|---|---|---|---|---|---|
| 18,469 | bootstrap_labels | prefLabel | — | [{"@value":"calcium bis(2-hydroxypropanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 18,470 | bootstrap_labels | name | calcium bis(2-hydroxypropanoate) | — | Purged legacy name field to enforce prefLabel usage |
| 18,471 | bootstrap_labels | synonyms | ["organometallic","calciumdilactate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 181,488 | 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) |
| 181,489 | 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) |
| 219,375 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,302 | normalize_name_case | prefLabel | [{"@value":"calcium bis(2-hydroxypropanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | [{"@value":"Calcium Bis(2-hydroxypropanoate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,430 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6CaO3"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,431 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,432 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.070.329","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['814-80-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[13144, 115200, 165341, 521805, 9859247, 12598284, 17904027, 87057680, 91886518, 123133976]; selected_pubchem_cids=[87057680]; 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 |
| 253,289 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6CaO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6CaO3"]… | rdkit_pre_consensus from 'CC(C(=O)O)O.[Ca]'; added: molecular_mass, monoisotopic_mass |
| 264,759 | consensus_match | altLabel | [] | [{"@value":"Calcium 2-hydroxypropanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=calciumbis(2-hydroxypropanoate)||dimension=Environmental > media=Air > indoor=Unknown; cas=814-80-2; added Common Chemistry CAS names as altLabel: Calcium 2-hydroxypropanoate, Calcium <span class="text-smallcaps">DL</span>-lactate, Calcium lactate, Calphosan, Conclyte Ca, E 327, L-Cal, Lactic acid, calcium salt (2:1), Pationic 1230, Pationic 1240, Prequist Powder, Propanoic acid, 2-hydroxy-, calcium salt (2:1), Puracal PP/FCC, Puracal PP/USP, Tokal; object_uuid=fo-fa78a5616aecff08 |
| 264,760 | consensus_match | cas_match_labels | — | {"814-80-2":"exactMatch"} | group_key=calciumbis(2-hydroxypropanoate)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'814-80-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fa78a5616aecff08: {'814-80-2': 'exactMatch'} |
| 278,498 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6CaO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6CaO3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Calcium Bis(2-hydroxypropanoate)' |
| 285,265 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6CaO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6CaO3",… | rdkit_post_consensus from 'CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Ca+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,688 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6CaO3",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10CaO6"… | withhold_contradicted_composition: the registry registers [(('C', 6), ('Ca', 1), ('O', 6))], contradicting ['C3H6CaO3'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 290,970 | strip_catalogue_altlabels | altLabel | [{"@value":"Calcium 2-hydroxypropanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | [{"@value":"Calcium 2-hydroxypropanoate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | Removed 3 catalogue altLabel value(s): 'E 327' (grade code), 'Pationic 1230' (trade name), 'Pationic 1240' (trade name) |
| 371,770 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/dceec519-4569-… | associations resolved on the elementary layer |
| 392,866 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10CaO6"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10CaO6"… | typed the way the ontology types it |
| 401,539 | 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/20260821T1554374006150000/18469 | prefLabel | ef:agent/bootstrap_labels | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v0 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v1 |
| ef:activity/change/20260821T1554374006150000/18470 | name | ef:agent/bootstrap_labels | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v1 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v2 |
| ef:activity/change/20260821T1554374006150000/18471 | synonyms | ef:agent/bootstrap_labels | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v2 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v3 |
| ef:activity/change/20260821T1554374006150000/181488 | context | ef:agent/default_context_mapping | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v3 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v4 |
| ef:activity/change/20260821T1554374006150000/181489 | context_iri | ef:agent/default_context_mapping | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v4 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v5 |
| ef:activity/change/20260821T1554374006150000/219375 | unit_iri | ef:agent/unit_normalization | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v5 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v6 |
| ef:activity/change/20260821T1554374006150000/225302 | prefLabel | ef:agent/normalize_name_case | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v6 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v7 |
| ef:activity/change/20260821T1554374006150000/244430 | properties | ef:agent/enrich_references | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v7 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v8 |
| ef:activity/change/20260821T1554374006150000/244431 | skos_definition | ef:agent/enrich_references | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v8 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v9 |
| ef:activity/change/20260821T1554374006150000/244432 | references | ef:agent/enrich_references | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v9 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v10 |
| ef:activity/change/20260821T1554374006150000/253289 | properties | ef:agent/rdkit_pre_consensus | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v10 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v11 |
| ef:activity/change/20260821T1554374006150000/264759 | altLabel | ef:agent/consensus_match | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v11 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v12 |
| ef:activity/change/20260821T1554374006150000/264760 | cas_match_labels | ef:agent/consensus_match | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v12 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v13 |
| ef:activity/change/20260821T1554374006150000/278498 | properties | ef:agent/opsin_iupac | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v13 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v14 |
| ef:activity/change/20260821T1554374006150000/285265 | properties | ef:agent/rdkit_post_consensus | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v14 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v15 |
| ef:activity/change/20260821T1554374006150000/286688 | properties | ef:agent/withhold_contradicted_composition | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v15 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v16 |
| ef:activity/change/20260821T1554374006150000/290970 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v16 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v17 |
| ef:activity/change/20260821T1554374006150000/371770 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v17 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v18 |
| ef:activity/change/20260821T1554374006150000/392866 | properties | ef:agent/normalise_property_values | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v18 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v19 |
| ef:activity/change/20260821T1554374006150000/401539 | types | ef:agent/link_flows_to_their_substance | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v19 | ef:flow/dceec519-4569-40ac-a1e5-f7f56e61a667/v20 |