2-phosphonobutane-1,2,4-tricarboxylic Acid
Everything that changed this flow. Back to the flow
276359d2-9487-4dc2-9ab6-397591f24862
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 4 catalogue altLabel value(s): 'Belclene 650' (trade name), 'Dequest 7000' (trade name), 'JH 906' (grade code), 'Mayoquest 2100' (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=2-phosphonobutane-1,2,4-tricarboxylicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'37971-36-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0b4c7d5564604939: {'37971-36-1': '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=['37971-36-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[61973, 21954888, 155882771]; selected_pubchem_cids=[61973]; 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 |
|---|---|---|---|---|---|
| 13,420 | bootstrap_labels | prefLabel | — | [{"@value":"2-phosphonobutane-1,2,4-tricarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 13,421 | bootstrap_labels | name | 2-phosphonobutane-1,2,4-tricarboxylic acid | — | Purged legacy name field to enforce prefLabel usage |
| 19,357 | bootstrap_labels | synonyms | ["1,2,4-Butanetricarboxylic acid, 2-phosphono-","1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt","1,2,4-Buta… | [] | Removed legacy synonyms field in favor of structured labels |
| 62,474 | 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 |
| 62,475 | 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 |
| 217,773 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,200 | normalize_name_case | prefLabel | [{"@value":"2-phosphonobutane-1,2,4-tricarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | [{"@value":"2-phosphonobutane-1,2,4-tricarboxylic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,895 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,896 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,897 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.277A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['37971-36-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[61973, 21954888, 155882771]; selected_pubchem_cids=[61973]; 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 |
| 251,974 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | rdkit_pre_consensus from 'C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 261,293 | consensus_match | altLabel | [] | [{"@value":"1,2,4-Butanetricarboxylic acid, 2-phosphono-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | group_key=2-phosphonobutane-1,2,4-tricarboxylicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=37971-36-1; added Common Chemistry CAS names as altLabel: 1,2,4-Butanetricarboxylic acid, 2-phosphono-, 1,2,4-Tricarboxy-<em>sec</em>-butylphosphonic acid, 2-Phosphonbutane-1,2,4-tricarboxylic acid, 2-Phosphono-1,2,4-butanetricarboxylic acid, 2-Phosphonobutyl-1,2,4-tricarboxylic acid, 3-Carboxy-3-phosphonohexanedioic acid, Bayhibit AM, Bayhibit AM 50, Belclene 650, Chelest PH 430, Cublen P 50, Dequest 7000, JH 906, Mayoquest 2100, PBDCA, PBS-AM, PBTC, PBTCA, Phosphonobutanetricarboxylic acid; object_uuid=fo-0b4c7d5564604939 |
| 261,294 | consensus_match | cas_match_labels | — | {"37971-36-1":"exactMatch"} | group_key=2-phosphonobutane-1,2,4-tricarboxylicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'37971-36-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0b4c7d5564604939: {'37971-36-1': 'exactMatch'} |
| 277,172 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-phosphonobutane-1,2,4-tricarboxylic Acid' |
| 283,833 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | rdkit_post_consensus from 'O=C(O)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,011 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2,4-Butanetricarboxylic acid, 2-phosphono-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | [{"@value":"1,2,4-Butanetricarboxylic acid, 2-phosphono-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_m… | Removed 4 catalogue altLabel value(s): 'Belclene 650' (trade name), 'Dequest 7000' (trade name), 'JH 906' (grade code), 'Mayoquest 2100' (trade name) |
| 312,255 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/276359d2-9487-… | associations resolved on the elementary layer |
| 391,520 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11O9P"]… | typed the way the ontology types it |
| 399,587 | 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/20260821T1554374006150000/13420 | prefLabel | ef:agent/bootstrap_labels | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v0 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v1 |
| ef:activity/change/20260821T1554374006150000/13421 | name | ef:agent/bootstrap_labels | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v1 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v2 |
| ef:activity/change/20260821T1554374006150000/19357 | synonyms | ef:agent/bootstrap_labels | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v2 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v3 |
| ef:activity/change/20260821T1554374006150000/62474 | context | ef:agent/default_context_mapping | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v3 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v4 |
| ef:activity/change/20260821T1554374006150000/62475 | context_iri | ef:agent/default_context_mapping | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v4 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v5 |
| ef:activity/change/20260821T1554374006150000/217773 | unit_iri | ef:agent/unit_normalization | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v5 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v6 |
| ef:activity/change/20260821T1554374006150000/224200 | prefLabel | ef:agent/normalize_name_case | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v6 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v7 |
| ef:activity/change/20260821T1554374006150000/239895 | properties | ef:agent/enrich_references | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v7 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v8 |
| ef:activity/change/20260821T1554374006150000/239896 | skos_definition | ef:agent/enrich_references | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v8 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v9 |
| ef:activity/change/20260821T1554374006150000/239897 | references | ef:agent/enrich_references | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v9 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v10 |
| ef:activity/change/20260821T1554374006150000/251974 | properties | ef:agent/rdkit_pre_consensus | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v10 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v11 |
| ef:activity/change/20260821T1554374006150000/261293 | altLabel | ef:agent/consensus_match | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v11 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v12 |
| ef:activity/change/20260821T1554374006150000/261294 | cas_match_labels | ef:agent/consensus_match | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v12 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v13 |
| ef:activity/change/20260821T1554374006150000/277172 | properties | ef:agent/opsin_iupac | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v13 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v14 |
| ef:activity/change/20260821T1554374006150000/283833 | properties | ef:agent/rdkit_post_consensus | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v14 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v15 |
| ef:activity/change/20260821T1554374006150000/290011 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v15 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v16 |
| ef:activity/change/20260821T1554374006150000/312255 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v16 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v17 |
| ef:activity/change/20260821T1554374006150000/391520 | properties | ef:agent/normalise_property_values | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v17 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v18 |
| ef:activity/change/20260821T1554374006150000/399587 | types | ef:agent/link_flows_to_their_substance | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v18 | ef:flow/276359d2-9487-4dc2-9ab6-397591f24862/v19 |