2,2'-[(phosphonomethyl)imino]diacetic Acid
Everything that changed this flow. Back to the flow
0b3e0611-07dd-4045-884a-003421596be9
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'MON 820' (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=2,2'-[(phosphonomethyl)imino]diaceticacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5994-61-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5b5f2128179bbf9c: {'5994-61-6': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5994-61-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_63485']; candidate_pubchem_cids=[76500, 80092, 16213205, 23045816]; selected_pubchem_cids=[80092]; 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 |
|---|---|---|---|---|---|
| 2,176 | bootstrap_labels | prefLabel | — | [{"@value":"2,2'-[(phosphonomethyl)imino]diacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 2,177 | bootstrap_labels | name | 2,2'-[(phosphonomethyl)imino]diacetic acid | — | Purged legacy name field to enforce prefLabel usage |
| 2,178 | bootstrap_labels | synonyms | ["organic","n-(carboxymethyl)-n-(phosphonomethyl)glycine","phosphonomethyliminodieddikesyre","pmie"] | [] | Removed legacy synonyms field in favor of structured labels |
| 43,150 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 43,151 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 214,064 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,592 | normalize_name_case | prefLabel | [{"@value":"2,2'-[(phosphonomethyl)imino]diacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | [{"@value":"2,2'-[(phosphonomethyl)imino]diacetic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,273 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,274 | enrich_references | skos_definition | — | [{"@value":"A tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent.","@… | Merged ChEBI/PubChem definitions into skos:definition |
| 229,275 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J223.930B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['5994-61-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_63485']; candidate_pubchem_cids=[76500, 80092, 16213205, 23045816]; selected_pubchem_cids=[80092]; 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 |
| 248,921 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | rdkit_pre_consensus from 'C(C(=O)O)N(CC(=O)O)CP(=O)(O)O'; added: monoisotopic_mass |
| 254,624 | chebi_altlabels | altLabel | [] | [{"@value":"N-(Carboxymethyl)-N-(phosphonomethyl)glycine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,465 | consensus_match | altLabel | [{"@value":"N-(Carboxymethyl)-N-(phosphonomethyl)glycine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | [{"@value":"N-(Carboxymethyl)-N-(phosphonomethyl)glycine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | group_key=2,2'-[(phosphonomethyl)imino]diaceticacid||dimension=Environmental > media=Water > water_body=Unknown; cas=5994-61-6; added Common Chemistry CAS names as altLabel: (Carboxymethyl-phosphonomethyl-amino)-acetic acid, 2,2′-[(Phosphonomethyl)imino]diacetic acid, 2-[Carboxymethyl(phosphonomethyl)amino]acetic acid, <em>N</em>-(Phosphonomethyl)iminodiacetic acid, Acetic acid, [(phosphonomethyl)imino]di-, Aminomethylphosphonic <em>N</em>,<em>N</em>-diacetic acid, Glycine, <em>N</em>-(carboxymethyl)-<em>N</em>-(phosphonomethyl)-, MON 820, Nitrilodiacetic acid methylphosphonic acid, Nitrilotris(methylene) triphonic acid, PMIDA; object_uuid=fo-5b5f2128179bbf9c |
| 259,466 | consensus_match | cas_match_labels | — | {"5994-61-6":"exactMatch"} | group_key=2,2'-[(phosphonomethyl)imino]diaceticacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5994-61-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5b5f2128179bbf9c: {'5994-61-6': 'exactMatch'} |
| 274,040 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2'-[(phosphonomethyl)imino]diacetic Acid' |
| 280,443 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | rdkit_post_consensus from 'O=C(O)CN(CC(=O)O)CP(=O)(O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,679 | strip_catalogue_altlabels | altLabel | [{"@value":"N-(Carboxymethyl)-N-(phosphonomethyl)glycine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | [{"@value":"N-(Carboxymethyl)-N-(phosphonomethyl)glycine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | Removed 1 catalogue altLabel value(s): 'MON 820' (grade code) |
| 302,594 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0b3e0611-07dd-… | associations resolved on the elementary layer |
| 388,324 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10NO7P"… | typed the way the ontology types it |
| 395,010 | 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/20260821T0609040591070000/2176 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v0 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v1 |
| ef:activity/change/20260821T0609040591070000/2177 | name | ef:agent/bootstrap_labels | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v1 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v2 |
| ef:activity/change/20260821T0609040591070000/2178 | synonyms | ef:agent/bootstrap_labels | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v2 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v3 |
| ef:activity/change/20260821T0609040591070000/43150 | context | ef:agent/default_context_mapping | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v3 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v4 |
| ef:activity/change/20260821T0609040591070000/43151 | context_iri | ef:agent/default_context_mapping | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v4 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v5 |
| ef:activity/change/20260821T0609040591070000/214064 | unit_iri | ef:agent/unit_normalization | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v5 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v6 |
| ef:activity/change/20260821T0609040591070000/221592 | prefLabel | ef:agent/normalize_name_case | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v6 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v7 |
| ef:activity/change/20260821T0609040591070000/229273 | properties | ef:agent/enrich_references | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v7 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v8 |
| ef:activity/change/20260821T0609040591070000/229274 | skos_definition | ef:agent/enrich_references | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v8 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v9 |
| ef:activity/change/20260821T0609040591070000/229275 | references | ef:agent/enrich_references | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v9 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v10 |
| ef:activity/change/20260821T0609040591070000/248921 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v10 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v11 |
| ef:activity/change/20260821T0609040591070000/254624 | altLabel | ef:agent/chebi_altlabels | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v11 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v12 |
| ef:activity/change/20260821T0609040591070000/259465 | altLabel | ef:agent/consensus_match | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v12 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v13 |
| ef:activity/change/20260821T0609040591070000/259466 | cas_match_labels | ef:agent/consensus_match | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v13 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v14 |
| ef:activity/change/20260821T0609040591070000/274040 | properties | ef:agent/opsin_iupac | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v14 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v15 |
| ef:activity/change/20260821T0609040591070000/280443 | properties | ef:agent/rdkit_post_consensus | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v15 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v16 |
| ef:activity/change/20260821T0609040591070000/287679 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v16 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v17 |
| ef:activity/change/20260821T0609040591070000/302594 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v17 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v18 |
| ef:activity/change/20260821T0609040591070000/388324 | properties | ef:agent/normalise_property_values | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v18 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v19 |
| ef:activity/change/20260821T0609040591070000/395010 | types | ef:agent/link_flows_to_their_substance | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v19 | ef:flow/0b3e0611-07dd-4045-884a-003421596be9/v20 |