[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic Acid
Everything that changed this flow. Back to the flow
39967c6e-7ab3-459d-a8f2-d480b03017d6
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 3 catalogue altLabel value(s): 'Dequest 2090' (trade name), 'Lonza 1704' (trade name), 'Unihib 1704' (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=[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'34690-00-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8272f8b560d0a679: {'34690-00-1': '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 water, unspecified |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['34690-00-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[93165, 118717]; selected_pubchem_cids=[118717]; 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 |
|---|---|---|---|---|---|
| 13,990 | bootstrap_labels | prefLabel | — | [{"@value":"[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic acid","@language":"en","source":{"prov:was… | Bootstrapped prefLabel from legacy name field |
| 13,991 | bootstrap_labels | name | [(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 13,992 | bootstrap_labels | synonyms | ["organic","[[(phosphonomethyl)imino]bis[hexamethylenenitrilobis(methylene)]]tetrakisphosphonicacid","cublenbtp470other… | [] | Removed legacy synonyms field in favor of structured labels |
| 74,808 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 74,809 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 217,960 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,329 | normalize_name_case | prefLabel | [{"@value":"[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic acid","@language":"en","source":{"prov:was… | [{"@value":"[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic Acid","@language":"en","source":{"prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,433 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,434 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,435 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.953I","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['34690-00-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[93165, 118717]; selected_pubchem_cids=[118717]; 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 |
| 252,133 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | rdkit_pre_consensus from 'C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O'; added: molecular_mass, monoisotopic_mass |
| 263,405 | consensus_match | altLabel | [] | [{"@value":"(Dihexyltriaminepenta(methylenephosphonic acid))","@language":"en","source":{"prov:wasGeneratedBy":"consens… | group_key=[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=34690-00-1; added Common Chemistry CAS names as altLabel: (Dihexyltriaminepenta(methylenephosphonic acid)), <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis[phosphonic acid], BHTPMP, Bis(hexamethylene)triamine phosphonic acid, Bis(hexamethylenetriamine)penta(methylenephosphonic acid), Bis-hexamethylene triamine phosphonate, Briquest 5123-45A, Cublen PEP 56, Dequest 2090, Dihexamethylenetriaminepentakis(methylenephosphonic acid), Lonza 1704, N-(6-Aminohexyl)-1,6-hexanediamine penta(methylene phosphonic acid), Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, Phosphonic acid, [[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, Triaminodihexylenepentakis(methylenephosphonic acid), Unihib 1704; object_uuid=fo-8272f8b560d0a679 |
| 263,406 | consensus_match | cas_match_labels | — | {"34690-00-1":"exactMatch"} | group_key=[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'34690-00-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8272f8b560d0a679: {'34690-00-1': 'exactMatch'} |
| 277,326 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '[(bis{6-[bis(phosphonomethyl)amino]hexyl}amino)methyl]phosphonic Acid' |
| 284,002 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | rdkit_post_consensus from 'O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,124 | strip_catalogue_altlabels | altLabel | [{"@value":"(Dihexyltriaminepenta(methylenephosphonic acid))","@language":"en","source":{"prov:wasGeneratedBy":"consens… | [{"@value":"(Dihexyltriaminepenta(methylenephosphonic acid))","@language":"en","source":{"prov:wasGeneratedBy":"consens… | Removed 3 catalogue altLabel value(s): 'Dequest 2090' (trade name), 'Lonza 1704' (trade name), 'Unihib 1704' (trade name) |
| 318,420 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/39967c6e-7ab3-… | associations resolved on the elementary layer |
| 391,683 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H44N3O1… | typed the way the ontology types it |
| 399,820 | 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/20260821T1554374006150000/13990 | prefLabel | ef:agent/bootstrap_labels | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v0 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v1 |
| ef:activity/change/20260821T1554374006150000/13991 | name | ef:agent/bootstrap_labels | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v1 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v2 |
| ef:activity/change/20260821T1554374006150000/13992 | synonyms | ef:agent/bootstrap_labels | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v2 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v3 |
| ef:activity/change/20260821T1554374006150000/74808 | context | ef:agent/default_context_mapping | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v3 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v4 |
| ef:activity/change/20260821T1554374006150000/74809 | context_iri | ef:agent/default_context_mapping | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v4 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v5 |
| ef:activity/change/20260821T1554374006150000/217960 | unit_iri | ef:agent/unit_normalization | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v5 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v6 |
| ef:activity/change/20260821T1554374006150000/224329 | prefLabel | ef:agent/normalize_name_case | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v6 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v7 |
| ef:activity/change/20260821T1554374006150000/240433 | properties | ef:agent/enrich_references | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v7 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v8 |
| ef:activity/change/20260821T1554374006150000/240434 | skos_definition | ef:agent/enrich_references | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v8 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v9 |
| ef:activity/change/20260821T1554374006150000/240435 | references | ef:agent/enrich_references | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v9 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v10 |
| ef:activity/change/20260821T1554374006150000/252133 | properties | ef:agent/rdkit_pre_consensus | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v10 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v11 |
| ef:activity/change/20260821T1554374006150000/263405 | altLabel | ef:agent/consensus_match | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v11 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v12 |
| ef:activity/change/20260821T1554374006150000/263406 | cas_match_labels | ef:agent/consensus_match | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v12 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v13 |
| ef:activity/change/20260821T1554374006150000/277326 | properties | ef:agent/opsin_iupac | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v13 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v14 |
| ef:activity/change/20260821T1554374006150000/284002 | properties | ef:agent/rdkit_post_consensus | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v14 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v15 |
| ef:activity/change/20260821T1554374006150000/290124 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v15 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v16 |
| ef:activity/change/20260821T1554374006150000/318420 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v16 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v17 |
| ef:activity/change/20260821T1554374006150000/391683 | properties | ef:agent/normalise_property_values | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v17 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v18 |
| ef:activity/change/20260821T1554374006150000/399820 | types | ef:agent/link_flows_to_their_substance | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v18 | ef:flow/39967c6e-7ab3-459d-a8f2-d480b03017d6/v19 |