Dimethyl Octadecylphosphonate
Everything that changed this flow. Back to the flow
3202e2d4-a814-410a-8a96-42123b128148
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Duraphos 100' (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=dimethyloctadecylphosphonate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25371-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e257b98060bf12a4: {'25371-54-4': '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 (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=['25371-54-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[91213, 117455, 21116699]; selected_pubchem_cids=[117455]; 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 |
|---|---|---|---|---|---|
| 20,757 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyl octadecylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 20,758 | bootstrap_labels | name | dimethyl octadecylphosphonate | — | Purged legacy name field to enforce prefLabel usage |
| 20,759 | bootstrap_labels | synonyms | ["organic","dimethyloctadecylphosphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 69,710 | 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) |
| 69,711 | 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) |
| 220,043 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,794 | normalize_name_case | prefLabel | [{"@value":"dimethyl octadecylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Dimethyl Octadecylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,303 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,304 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,305 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.441C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['25371-54-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[91213, 117455, 21116699]; selected_pubchem_cids=[117455]; 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 |
| 253,834 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | rdkit_pre_consensus from 'CCCCCCCCCCCCCCCCCCP(=O)(OC)OC'; added: molecular_mass, monoisotopic_mass |
| 266,114 | consensus_match | altLabel | [] | [{"@value":"Duraphos 100","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | group_key=dimethyloctadecylphosphonate||dimension=Environmental > media=Water > water_body=Long-term; cas=25371-54-4; added Common Chemistry CAS names as altLabel: Duraphos 100, Octadecylphosphonic acid dimethyl ester, Phosphonic acid, <em>P</em>-octadecyl-, dimethyl ester, Phosphonic acid, octadecyl-, dimethyl ester; object_uuid=fo-e257b98060bf12a4 |
| 266,115 | consensus_match | cas_match_labels | — | {"25371-54-4":"exactMatch"} | group_key=dimethyloctadecylphosphonate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25371-54-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e257b98060bf12a4: {'25371-54-4': 'exactMatch'} |
| 279,037 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyl Octadecylphosphonate' |
| 285,865 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | rdkit_post_consensus from 'CCCCCCCCCCCCCCCCCCP(=O)(OC)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,376 | strip_catalogue_altlabels | altLabel | [{"@value":"Duraphos 100","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | [{"@value":"Octadecylphosphonic acid dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Removed 1 catalogue altLabel value(s): 'Duraphos 100' (trade name) |
| 315,872 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3202e2d4-a814-… | associations resolved on the elementary layer |
| 393,418 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H43O3P"… | typed the way the ontology types it |
| 402,366 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/20757 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v0 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v1 |
| ef:activity/change/20260822T0600486828500000/20758 | name | ef:agent/bootstrap_labels | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v1 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v2 |
| ef:activity/change/20260822T0600486828500000/20759 | synonyms | ef:agent/bootstrap_labels | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v2 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v3 |
| ef:activity/change/20260822T0600486828500000/69710 | context | ef:agent/default_context_mapping | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v3 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v4 |
| ef:activity/change/20260822T0600486828500000/69711 | context_iri | ef:agent/default_context_mapping | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v4 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v5 |
| ef:activity/change/20260822T0600486828500000/220043 | unit_iri | ef:agent/unit_normalization | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v5 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v6 |
| ef:activity/change/20260822T0600486828500000/225794 | prefLabel | ef:agent/normalize_name_case | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v6 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v7 |
| ef:activity/change/20260822T0600486828500000/246303 | properties | ef:agent/enrich_references | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v7 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v8 |
| ef:activity/change/20260822T0600486828500000/246304 | skos_definition | ef:agent/enrich_references | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v8 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v9 |
| ef:activity/change/20260822T0600486828500000/246305 | references | ef:agent/enrich_references | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v9 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v10 |
| ef:activity/change/20260822T0600486828500000/253834 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v10 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v11 |
| ef:activity/change/20260822T0600486828500000/266114 | altLabel | ef:agent/consensus_match | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v11 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v12 |
| ef:activity/change/20260822T0600486828500000/266115 | cas_match_labels | ef:agent/consensus_match | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v12 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v13 |
| ef:activity/change/20260822T0600486828500000/279037 | properties | ef:agent/opsin_iupac | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v13 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v14 |
| ef:activity/change/20260822T0600486828500000/285865 | properties | ef:agent/rdkit_post_consensus | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v14 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v15 |
| ef:activity/change/20260822T0600486828500000/291376 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v15 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v16 |
| ef:activity/change/20260822T0600486828500000/315872 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v16 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v17 |
| ef:activity/change/20260822T0600486828500000/393418 | properties | ef:agent/normalise_property_values | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v17 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v18 |
| ef:activity/change/20260822T0600486828500000/402366 | types | ef:agent/link_flows_to_their_substance | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v18 | ef:flow/3202e2d4-a814-410a-8a96-42123b128148/v19 |