2-hydroxymethyl-2-nitro-1,3-propanediol
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-953a-0050c2490048
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): 'NSC 17675' (registry code), 'NSC 2344' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-hydroxymethyl-2-nitro-1,3-propanediol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'126-11-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-14c58106d47a638a: {'126-11-4': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['126-11-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[31337]; selected_pubchem_cids=[31337]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,310 | bootstrap_labels | prefLabel | — | [{"@value":"2-hydroxymethyl-2-nitro-1,3-propanediol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 3,311 | bootstrap_labels | name | 2-hydroxymethyl-2-nitro-1,3-propanediol | — | Purged legacy name field to enforce prefLabel usage |
| 3,312 | bootstrap_labels | synonyms | ["1,1,1-Tris(hydroxymethyl)nitromethane","1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-","2-(Hydroxymethyl)-2 nitro-1,3-p… | [] | Removed legacy synonyms field in favor of structured labels |
| 91,698 | 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 |
| 91,699 | 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 |
| 214,444 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 230,366 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,367 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,368 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.509G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['126-11-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[31337]; selected_pubchem_cids=[31337]; 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 |
| 249,239 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | rdkit_pre_consensus from 'C(C(CO)(CO)[N+](=O)[O-])O'; added: molecular_mass, monoisotopic_mass |
| 260,955 | consensus_match | altLabel | [] | [{"@value":"1,3-Dihydroxy-2-(hydroxymethyl)-2-nitropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | group_key=2-hydroxymethyl-2-nitro-1,3-propanediol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=126-11-4; added Common Chemistry CAS names as altLabel: 1,3-Dihydroxy-2-(hydroxymethyl)-2-nitropropane, 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, 1-Nitro-1,1,1-tris(hydroxymethyl)methane, 2-(Hydroxymethyl)-2-nitro-1,3-propanediol, 2-(Hydroxymethyl)-2-nitropropan-1,3-diol, 2-(Hydroxymethyl)-2-nitropropanediol, 2-Nitro-2-(hydroxymethyl)-1,3-propanediol, Isobutylglycerol, nitro-, NSC 17675, NSC 2344, Nitroisobutylglycerol, Nitrotrimethylolmethane, Nitrotris(hydroxymethyl)methane, Trihydroxymethylnitromethane, Trimethylolnitromethane, Tris Nitro, Tris(hydroxymethyl)nitromethane; object_uuid=fo-14c58106d47a638a |
| 260,956 | consensus_match | cas_match_labels | — | {"126-11-4":"exactMatch"} | group_key=2-hydroxymethyl-2-nitro-1,3-propanediol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'126-11-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-14c58106d47a638a: {'126-11-4': 'exactMatch'} |
| 274,357 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-hydroxymethyl-2-nitro-1,3-propanediol' |
| 280,786 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | rdkit_post_consensus from 'O=[N+]([O-])C(CO)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,909 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Dihydroxy-2-(hydroxymethyl)-2-nitropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | [{"@value":"1,3-Dihydroxy-2-(hydroxymethyl)-2-nitropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | Removed 2 catalogue altLabel value(s): 'NSC 17675' (registry code), 'NSC 2344' (registry code) |
| 326,848 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 388,647 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9NO5"],… | typed the way the ontology types it |
| 395,467 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T0609040591070000/3310 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v1 |
| ef:activity/change/20260821T0609040591070000/3311 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v2 |
| ef:activity/change/20260821T0609040591070000/3312 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v3 |
| ef:activity/change/20260821T0609040591070000/91698 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v4 |
| ef:activity/change/20260821T0609040591070000/91699 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v5 |
| ef:activity/change/20260821T0609040591070000/214444 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v6 |
| ef:activity/change/20260821T0609040591070000/230366 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v7 |
| ef:activity/change/20260821T0609040591070000/230367 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v8 |
| ef:activity/change/20260821T0609040591070000/230368 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v9 |
| ef:activity/change/20260821T0609040591070000/249239 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v10 |
| ef:activity/change/20260821T0609040591070000/260955 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v11 |
| ef:activity/change/20260821T0609040591070000/260956 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v12 |
| ef:activity/change/20260821T0609040591070000/274357 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v13 |
| ef:activity/change/20260821T0609040591070000/280786 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v14 |
| ef:activity/change/20260821T0609040591070000/287909 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v15 |
| ef:activity/change/20260821T0609040591070000/326848 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v16 |
| ef:activity/change/20260821T0609040591070000/388647 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v17 |
| ef:activity/change/20260821T0609040591070000/395467 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-953a-0050c2490048/v18 |