Pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
Everything that changed this flow. Back to the flow
641fe028-e5a4-4a0f-8754-e340857df019
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | 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=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Long-term; group_sources=[]; cas_sources={'7216-95-7': []}; assigned CAS labels from group consensus; object_uuid=fo-feed501c8eb5c8cf: {'7216-95-7': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7216-95-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[10167209, 92018038, 131884022, 138395840]; selected_pubchem_cids=[131884022]; 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 |
|---|---|---|---|---|---|
| 10,886 | bootstrap_labels | prefLabel | — | [{"@value":"pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl… | Bootstrapped prefLabel from legacy name field |
| 10,887 | bootstrap_labels | name | pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]aceta… | — | Purged legacy name field to enforce prefLabel usage |
| 10,888 | bootstrap_labels | synonyms | ["organic","armogards462","dissolvined-k5-40"] | [] | Removed legacy synonyms field in favor of structured labels |
| 109,176 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 109,177 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 216,949 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,635 | normalize_name_case | prefLabel | [{"@value":"pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl… | [{"@value":"Pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,538 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H23K5N3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,539 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,540 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=7216-95-7","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['7216-95-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[10167209, 92018038, 131884022, 138395840]; selected_pubchem_cids=[131884022]; 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 |
| 251,288 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H23K5N3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H23K5N3… | rdkit_pre_consensus from 'C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[K].[K].[K].[K].[K]'; added: molecular_mass, monoisotopic_mass |
| 270,475 | consensus_match | altLabel | [] | [{"@value":"Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentapotassium salt","@language":"en… | group_key=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Long-term; cas=7216-95-7; added Common Chemistry CAS names as altLabel: Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentapotassium salt, Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, potassium salt (1:5), K<sub>5</sub>DTPA, Pentapotassium diethylenetriaminepentaacetate; object_uuid=fo-feed501c8eb5c8cf |
| 270,476 | consensus_match | cas_match_labels | — | {"7216-95-7":"exactMatch"} | group_key=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Long-term; group_sources=[]; cas_sources={'7216-95-7': []}; assigned CAS labels from group consensus; object_uuid=fo-feed501c8eb5c8cf: {'7216-95-7': 'exactMatch'} |
| 276,473 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H23K5N3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H23K5N3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate' |
| 283,081 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H23K5N3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18K5N3… | rdkit_post_consensus from 'O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,942 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18K5N3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18K5N3… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,537 | dedupe_altlabels | altLabel | [{"@value":"Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentapotassium salt","@language":"en… | [{"@value":"Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentapotassium salt","@language":"en","source":{"prov:… | Deduplicated altLabel values and removed entries matching prefLabel |
| 335,587 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/641fe028-e5a4-… | associations resolved on the elementary layer |
| 398,614 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260822T0600486828500000/10886 | prefLabel | ef:agent/bootstrap_labels | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v0 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v1 |
| ef:activity/change/20260822T0600486828500000/10887 | name | ef:agent/bootstrap_labels | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v1 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v2 |
| ef:activity/change/20260822T0600486828500000/10888 | synonyms | ef:agent/bootstrap_labels | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v2 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v3 |
| ef:activity/change/20260822T0600486828500000/109176 | context | ef:agent/default_context_mapping | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v3 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v4 |
| ef:activity/change/20260822T0600486828500000/109177 | context_iri | ef:agent/default_context_mapping | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v4 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v5 |
| ef:activity/change/20260822T0600486828500000/216949 | unit_iri | ef:agent/unit_normalization | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v5 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v6 |
| ef:activity/change/20260822T0600486828500000/223635 | prefLabel | ef:agent/normalize_name_case | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v6 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v7 |
| ef:activity/change/20260822T0600486828500000/237538 | properties | ef:agent/enrich_references | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v7 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v8 |
| ef:activity/change/20260822T0600486828500000/237539 | skos_definition | ef:agent/enrich_references | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v8 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v9 |
| ef:activity/change/20260822T0600486828500000/237540 | references | ef:agent/enrich_references | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v9 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v10 |
| ef:activity/change/20260822T0600486828500000/251288 | properties | ef:agent/rdkit_pre_consensus | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v10 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v11 |
| ef:activity/change/20260822T0600486828500000/270475 | altLabel | ef:agent/consensus_match | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v11 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v12 |
| ef:activity/change/20260822T0600486828500000/270476 | cas_match_labels | ef:agent/consensus_match | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v12 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v13 |
| ef:activity/change/20260822T0600486828500000/276473 | properties | ef:agent/opsin_iupac | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v13 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v14 |
| ef:activity/change/20260822T0600486828500000/283081 | properties | ef:agent/rdkit_post_consensus | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v14 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v15 |
| ef:activity/change/20260822T0600486828500000/286942 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v15 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v16 |
| ef:activity/change/20260822T0600486828500000/292537 | altLabel | ef:agent/dedupe_altlabels | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v16 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v17 |
| ef:activity/change/20260822T0600486828500000/335587 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v17 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v18 |
| ef:activity/change/20260822T0600486828500000/398614 | types | ef:agent/link_flows_to_their_substance | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v18 | ef:flow/641fe028-e5a4-4a0f-8754-e340857df019/v19 |