Diisopropyl Methylphosphonate
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9e70-0050c2490048
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 | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=diisopropylmethylphosphonate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1445-75-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4edd6a3a0765823: {'1445-75-6': '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=['1445-75-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77325']; candidate_pubchem_cids=[3073]; selected_pubchem_cids=[3073]; 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 |
|---|---|---|---|---|---|
| 8,681 | bootstrap_labels | prefLabel | — | [{"@value":"diisopropyl methylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 8,682 | bootstrap_labels | name | diisopropyl methylphosphonate | — | Purged legacy name field to enforce prefLabel usage |
| 8,683 | bootstrap_labels | synonyms | ["2-[methyl(propan-2-yloxy)phosphoryl]oxypropane","AC1L1F42","AC1Q6SB4","Bis(1-methylethyl) methylphosphonate","Diisopr… | [] | Removed legacy synonyms field in favor of structured labels |
| 39,266 | 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) |
| 39,267 | 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) |
| 216,228 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,144 | normalize_name_case | prefLabel | [{"@value":"diisopropyl methylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Diisopropyl Methylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,480 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,481 | enrich_references | skos_definition | — | [{"@value":"An organic phosphonate that is the diisopropyl ester of methylphosphonic acid.","@language":"en","provenanc… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,482 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.643K","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1445-75-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77325']; candidate_pubchem_cids=[3073]; selected_pubchem_cids=[3073]; 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 |
| 250,703 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | rdkit_pre_consensus from 'CC(C)OP(=O)(C)OC(C)C'; added: monoisotopic_mass |
| 255,606 | chebi_altlabels | altLabel | [] | [{"@value":"Bis(1-methylethyl) methylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,014 | consensus_match | altLabel | [{"@value":"Bis(1-methylethyl) methylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | [{"@value":"Bis(1-methylethyl) methylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | group_key=diisopropylmethylphosphonate||dimension=Environmental > media=Ground > geography=Agricultural; cas=1445-75-6; added Common Chemistry CAS names as altLabel: 2-[Isopropoxy(methyl)phosphoryl]oxypropane, 2-[Methyl(propan-2-yloxy)phosphoryl]oxypropane, <em>O</em>,<em>O</em>-Diisopropyl methylphosphonate, DIMP (phosphonate), Phosphonic acid, <em>P</em>-methyl-, bis(1-methylethyl) ester, Phosphonic acid, methyl-, bis(1-methylethyl) ester, Phosphonic acid, methyl-, diisopropyl ester; object_uuid=fo-a4edd6a3a0765823 |
| 266,015 | consensus_match | cas_match_labels | — | {"1445-75-6":"exactMatch"} | group_key=diisopropylmethylphosphonate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1445-75-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4edd6a3a0765823: {'1445-75-6': 'exactMatch'} |
| 275,869 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diisopropyl Methylphosphonate' |
| 282,437 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | rdkit_post_consensus from 'CC(C)OP(C)(=O)OC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,407 | dedupe_altlabels | altLabel | [{"@value":"Bis(1-methylethyl) methylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | [{"@value":"Bis(1-methylethyl) methylphosphonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | Deduplicated altLabel values and removed entries matching prefLabel |
| 300,658 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 390,217 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17O3P"]… | typed the way the ontology types it |
| 397,738 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/8681 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/8682 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/8683 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/39266 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/39267 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/216228 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/223144 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/235480 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/235481 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/235482 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/250703 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/255606 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/266014 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/266015 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/275869 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/282437 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/292407 | altLabel | ef:agent/dedupe_altlabels | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/300658 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/390217 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/397738 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-9e70-0050c2490048/v20 |