Dimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate
Everything that changed this flow. Back to the flow
c2419299-4dff-448d-be35-1ab6b52b000c
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 2 catalogue altLabel value(s): 'KX 912' (grade code), 'Pyrovatex 3805' (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=dimethyl[3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'20120-33-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b7b463cd06d99db9: {'20120-33-6': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['20120-33-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[29959, 20454537]; selected_pubchem_cids=[29959]; 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 |
|---|---|---|---|---|---|
| 12,957 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate","@language":"en","source":{"prov:wasGeneratedBy… | Bootstrapped prefLabel from legacy name field |
| 12,958 | bootstrap_labels | name | dimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate | — | Purged legacy name field to enforce prefLabel usage |
| 12,959 | bootstrap_labels | synonyms | ["3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide","AC1L1IIK","Dimethyl (3-((hydroxymethyl)amino)-3-oxopropyl)phosph… | [] | Removed legacy synonyms field in favor of structured labels |
| 164,812 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 164,813 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 217,624 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,092 | normalize_name_case | prefLabel | [{"@value":"dimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate","@language":"en","source":{"prov:wasGeneratedBy… | [{"@value":"Dimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate","@language":"en","source":{"prov:wasGeneratedBy… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,475 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,476 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,477 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J280.451D","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['20120-33-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[29959, 20454537]; selected_pubchem_cids=[29959]; 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 |
| 251,852 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | rdkit_pre_consensus from 'COP(=O)(CCC(=O)NCO)OC'; added: molecular_mass, monoisotopic_mass |
| 266,082 | consensus_match | altLabel | [] | [{"@value":"3-(<em>O</em>,<em>O</em>′-Dimethylphosphono)-<em>N</em>-methylolpropionamide","@language":"en","source":{"p… | group_key=dimethyl[3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=20120-33-6; added Common Chemistry CAS names as altLabel: 3-(<em>O</em>,<em>O</em>′-Dimethylphosphono)-<em>N</em>-methylolpropionamide, 3-(Dimethylphosphono)-<em>N</em>-(hydroxymethyl)propionamide, 3-(Dimethylphosphono)-<em>N</em>-methylolpropionamide, 3-(Dimethylphosphono)propionic acid methylolamide, 3-(Dimethylphosphono)propionic methylolamide, 3-Dimethoxyphosphoryl-<em>N</em>-(hydroxymethyl)propanamide, <em>N</em>-Hydroxymethyl-3-dimethylphosphonopropionamide, <em>N</em>-Methylol-3-(dimethoxyphosphono)propionamide, <em>N</em>-Methylol-3-(dimethylphosphono)propionamide, Amgard TFR 1, CP, CP (flame retardant), CP New, Dimethyl <em>N</em>-methylolphosphonopropionamide, Dimethyl <em>P</em>-[3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate, Dimethyl [2-[(hydroxymethyl)carbamoyl]ethyl]phosphonate, Dimethyl phosphonomethylolpropionamide, KX 912, Nicca Fi-None CG 700 Conc., Phosphonic acid, <em>P</em>-[3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl ester, Phosphonic acid, [2-[(hydroxymethyl)carbamoyl]ethyl]-, dimethyl ester, Phosphonic acid, [3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl ester, Pyrovatex 3805, Pyrovatex CF, Pyrovatex CP, Pyrovatex CP New, Spolapret OS; object_uuid=fo-b7b463cd06d99db9 |
| 266,083 | consensus_match | cas_match_labels | — | {"20120-33-6":"exactMatch"} | group_key=dimethyl[3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'20120-33-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b7b463cd06d99db9: {'20120-33-6': 'exactMatch'} |
| 277,045 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate' |
| 283,697 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | rdkit_post_consensus from 'COP(=O)(CCC(=O)NCO)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,919 | strip_catalogue_altlabels | altLabel | [{"@value":"3-(<em>O</em>,<em>O</em>′-Dimethylphosphono)-<em>N</em>-methylolpropionamide","@language":"en","source":{"p… | [{"@value":"3-(O,O′-Dimethylphosphono)-N-methylolpropionamide","@language":"en","source":{"prov:wasGeneratedBy":"consen… | Removed 2 catalogue altLabel value(s): 'KX 912' (grade code), 'Pyrovatex 3805' (trade name) |
| 363,432 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c2419299-4dff-… | associations resolved on the elementary layer |
| 391,395 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14NO5P"… | typed the way the ontology types it |
| 399,409 | 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/20260822T0600486828500000/12957 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v0 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v1 |
| ef:activity/change/20260822T0600486828500000/12958 | name | ef:agent/bootstrap_labels | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v1 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v2 |
| ef:activity/change/20260822T0600486828500000/12959 | synonyms | ef:agent/bootstrap_labels | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v2 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v3 |
| ef:activity/change/20260822T0600486828500000/164812 | context | ef:agent/default_context_mapping | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v3 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v4 |
| ef:activity/change/20260822T0600486828500000/164813 | context_iri | ef:agent/default_context_mapping | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v4 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v5 |
| ef:activity/change/20260822T0600486828500000/217624 | unit_iri | ef:agent/unit_normalization | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v5 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v6 |
| ef:activity/change/20260822T0600486828500000/224092 | prefLabel | ef:agent/normalize_name_case | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v6 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v7 |
| ef:activity/change/20260822T0600486828500000/239475 | properties | ef:agent/enrich_references | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v7 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v8 |
| ef:activity/change/20260822T0600486828500000/239476 | skos_definition | ef:agent/enrich_references | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v8 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v9 |
| ef:activity/change/20260822T0600486828500000/239477 | references | ef:agent/enrich_references | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v9 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v10 |
| ef:activity/change/20260822T0600486828500000/251852 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v10 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v11 |
| ef:activity/change/20260822T0600486828500000/266082 | altLabel | ef:agent/consensus_match | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v11 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v12 |
| ef:activity/change/20260822T0600486828500000/266083 | cas_match_labels | ef:agent/consensus_match | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v12 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v13 |
| ef:activity/change/20260822T0600486828500000/277045 | properties | ef:agent/opsin_iupac | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v13 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v14 |
| ef:activity/change/20260822T0600486828500000/283697 | properties | ef:agent/rdkit_post_consensus | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v14 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v15 |
| ef:activity/change/20260822T0600486828500000/289919 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v15 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v16 |
| ef:activity/change/20260822T0600486828500000/363432 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v16 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v17 |
| ef:activity/change/20260822T0600486828500000/391395 | properties | ef:agent/normalise_property_values | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v17 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v18 |
| ef:activity/change/20260822T0600486828500000/399409 | types | ef:agent/link_flows_to_their_substance | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v18 | ef:flow/c2419299-4dff-448d-be35-1ab6b52b000c/v19 |