Nitroglycerin
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-a2ac-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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 15 catalogue altLabel value(s): 'MQX 503' (grade code), 'NK 843' (grade code), 'SDM 17' (grade code), 'SDM 20' (grade code), 'SDM 26' (grade code), 'SDM 27' (grade code), 'SDM 36' (grade code), 'SDM 47' (grade code), 'SDM 7' (grade code), 'SDM 71' (grade code), 'SDM 74' (grade code), 'SDM 75' (grade code), 'SDM 77' (grade code), 'SDM 78' (grade code), 'SDM 79' (grade code) |
| 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=nitroglycerin||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'55-63-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ce2755fcdada2755: {'55-63-0': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['55-63-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28787']; candidate_pubchem_cids=[4510, 101603099]; selected_pubchem_cids=[4510]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 8,623 | bootstrap_labels | prefLabel | — | [{"@value":"nitroglycerin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 8,624 | bootstrap_labels | name | nitroglycerin | — | Purged legacy name field to enforce prefLabel usage |
| 8,625 | bootstrap_labels | synonyms | ["1,2,3-Propanetriol trinatrate","1,2,3-Propanetriol, 1,2,3-trinitrate","1,2,3-Propanetriol, trinitrate","1,2,3-Propane… | [] | Removed legacy synonyms field in favor of structured labels |
| 41,418 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 41,419 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 216,209 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,129 | normalize_name_case | prefLabel | [{"@value":"nitroglycerin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Nitroglycerin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,423 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,424 | enrich_references | skos_definition | — | [{"@value":"A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by ni… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,425 | enrich_references | references | [] | [{"@id":"drugcentral:1952","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['55-63-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28787']; candidate_pubchem_cids=[4510, 101603099]; selected_pubchem_cids=[4510]; 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 |
| 250,687 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | rdkit_pre_consensus from 'C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,593 | chebi_altlabels | altLabel | [] | [{"@value":"1,2,3-propanetrioltrinitrate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 21 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,915 | consensus_match | altLabel | [{"@value":"1,2,3-propanetrioltrinitrate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"1,2,3-propanetrioltrinitrate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=nitroglycerin||dimension=Environmental > media=Ground > geography=Agricultural; cas=55-63-0; added Common Chemistry CAS names as altLabel: 1,2,3-Propanetriol, 1,2,3-trinitrate, 1,2,3-Propanetriol, trinitrate, Adesitrin, Angibid, Anginine, Angiolingual, Angorin, Aquo-Trinitrosan, Blasting oil, Cardamist, Chitamite, Cordipatch, Corditrine, Coro-Nitro, Deponit, Deponit 10, Diafusor, Discotrine, Dorocontin, Epinitril, GTN, GTN (explosive), Gilucor, Gilucor nitro, Glonoin, Glycerol nitric acid triester, Glyceryl nitrate, Klavikordal, Lenitral, Lentonitrina, MQX 503, MeSH ID: D005996, Millisrol, Minitran (nitroglycerin), Myoglycerin, Myovin, NK 843, NTG, Niglin, Niglycon, Niong, Nitora, Nitrin, Nitrine, Nitrine-TDC, Nitro Mack, Nitro-Bid, Nitro-Gesani, Nitro-PRN, Nitro-Span, Nitro-Time, Nitro-lent, Nitrocardin, Nitroderm, Nitroderm TTS, Nitrodisc, Nitrofortin, Nitrogard, Nitroglin, Nitroglyn, Nitrol, Nitrol (pharmaceutical), Nitrol Ointment, Nitrolan, Nitrolande, Nitrolar, Nitroletten, Nitrolowe, Nitromel, Nitronal, Nitrong, Nitropercuten, Nitropohl, Nitrorectal, Nitroretard, Nitrosigma, Nitrostabilin, Nitrozell retard, Nysconitrine, Penobel 2, Percutol, Perglottal, Perlinganit, Propanetriol trinitrate, Reminitrol, S.N.G., SDM 17, SDM 20, SDM 26, SDM 27, SDM 36, SDM 47, SDM 7, SDM 71, SDM 74, SDM 75, SDM 77, SDM 78, SDM 79, Solinitrina, Susadrin, Suscard, Sustac, Sutonit, Temponitrin, Transderm-Nitro, Transderm-Nitro TTS, Transiderm-Nitro, Tridil, Trinalgon, Triniplas, Trinitrin, Trinitrine, Trinitrol, Trinitrosan, Vasoglyn, Vasolator; object_uuid=fo-ce2755fcdada2755 |
| 269,916 | consensus_match | cas_match_labels | — | {"55-63-0":"exactMatch"} | group_key=nitroglycerin||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'55-63-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ce2755fcdada2755: {'55-63-0': 'exactMatch'} |
| 275,852 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Nitroglycerin' |
| 282,418 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | rdkit_post_consensus from 'O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,038 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2,3-propanetrioltrinitrate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"1,2,3-propanetrioltrinitrate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 15 catalogue altLabel value(s): 'MQX 503' (grade code), 'NK 843' (grade code), 'SDM 17' (grade code), 'SDM 20' (grade code), 'SDM 26' (grade code), 'SDM 27' (grade code), 'SDM 36' (grade code), 'SDM 47' (grade code), 'SDM 7' (grade code), 'SDM 71' (grade code), 'SDM 74' (grade code), 'SDM 75' (grade code), 'SDM 77' (grade code), 'SDM 78' (grade code), 'SDM 79' (grade code) |
| 301,734 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 390,198 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N3O9"]… | typed the way the ontology types it |
| 397,711 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/8623 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/8624 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/8625 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/41418 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/41419 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/216209 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/223129 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/235423 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/235424 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/235425 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/250687 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/255593 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/269915 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/269916 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/275852 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/282418 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/289038 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/301734 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/390198 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/397711 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-a2ac-0050c2490048/v20 |