2-amino-2-(hydroxymethyl)propane-1,3-diol
Everything that changed this flow. Back to the flow
1f9ee1f0-dd69-45bf-af03-fa30738fcdb7
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 6 catalogue altLabel value(s): 'A 0321' (grade code), 'NSC 103026' (registry code), 'NSC 6365' (registry code), 'NSC 65434' (registry code), 'SD 01853' (grade code), 'T 1503' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2-amino-2-(hydroxymethyl)propane-1,3-diol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'77-86-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2d29ca0011e8c320: {'77-86-1': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['77-86-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9754']; candidate_pubchem_cids=[6503]; selected_pubchem_cids=[6503]; 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 |
|---|---|---|---|---|---|
| 10,096 | bootstrap_labels | prefLabel | — | [{"@value":"2-amino-2-(hydroxymethyl)propane-1,3-diol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 10,097 | bootstrap_labels | name | 2-amino-2-(hydroxymethyl)propane-1,3-diol | — | Purged legacy name field to enforce prefLabel usage |
| 10,098 | bootstrap_labels | synonyms | ["organic","trometamol","trisamino","trisbase","trizmabase","trometamol_m+n"] | [] | Removed legacy synonyms field in favor of structured labels |
| 57,956 | 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 |
| 57,957 | 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 |
| 216,692 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,820 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 236,821 | enrich_references | skos_definition | — | [{"@value":"A primary amino compound that is tert-butylamine in which one hydrogen attached to each methyl group is rep… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,822 | enrich_references | references | [] | [{"@id":"drugcentral:2771","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['77-86-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9754']; candidate_pubchem_cids=[6503]; selected_pubchem_cids=[6503]; 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 |
| 251,090 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | rdkit_pre_consensus from 'C(C(CO)(CO)N)O'; added: monoisotopic_mass |
| 255,819 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,1-tris(hydroxymethyl)methanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,480 | consensus_match | altLabel | [{"@value":"1,1,1-tris(hydroxymethyl)methanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | [{"@value":"1,1,1-tris(hydroxymethyl)methanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | group_key=2-amino-2-(hydroxymethyl)propane-1,3-diol||dimension=Environmental > media=Ground > geography=Unknown; cas=77-86-1; added Common Chemistry CAS names as altLabel: 1,1,1-Tris(hydroxymethyl)methylamine, 1,3-Dihydroxy-2-(hydroxymethyl)propan-2-amine, 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, 2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane, 2-Amino-2-(hydroxymethyl)propanediol, 2-Amino-2-hydroxymethylpropan-1,3-diol, 2-Amino-2-methylol-1,3-propanediol, A 0321, Addex-Tham, Aminotri(hydroxymethyl)methane, Aminotrimethylolmethane, MeSH ID: D014325, Methanamine, 1,1,1-tris(hydroxymethyl)-, NSC 103026, NSC 6365, NSC 65434, Pehanorm, Ricrolin TE, SD 01853, T 1503, TAM, TAM (buffering agent), Talatrol, Toris Amino Ultra PC, Tri Amino, Tri(hydroxymethyl)aminomethane, Tri(hydroxymethyl)methylamine, Trigmo base, Triladyl, Trimethylolaminomethane, Tris (buffering agent), Tris Amino Crystal, Tris Amino Ultra, Tris Amino Ultra PC (J) tromethamine, Tris(hydroxymethyl)methanamine, Tris(hydroxymethyl)methylamine, Tris(methylolamino)methane, Tris-steril, Trisamin, Trisamine, Trisaminol, Trizma Base, Trometamole, Tromethane, Tromethanmin, Tutofusin tris, [2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine; object_uuid=fo-2d29ca0011e8c320 |
| 260,481 | consensus_match | cas_match_labels | — | {"77-86-1":"exactMatch"} | group_key=2-amino-2-(hydroxymethyl)propane-1,3-diol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'77-86-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2d29ca0011e8c320: {'77-86-1': 'exactMatch'} |
| 276,272 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-amino-2-(hydroxymethyl)propane-1,3-diol' |
| 282,862 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | rdkit_post_consensus from 'NC(CO)(CO)CO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,359 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1-tris(hydroxymethyl)methanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | [{"@value":"1,1,1-tris(hydroxymethyl)methanamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | Removed 6 catalogue altLabel value(s): 'A 0321' (grade code), 'NSC 103026' (registry code), 'NSC 6365' (registry code), 'NSC 65434' (registry code), 'SD 01853' (grade code), 'T 1503' (grade code) |
| 309,998 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1f9ee1f0-dd69-… | associations resolved on the elementary layer |
| 390,619 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H11NO3"]… | typed the way the ontology types it |
| 398,304 | 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/20260821T1122181958110000/10096 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v0 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v1 |
| ef:activity/change/20260821T1122181958110000/10097 | name | ef:agent/bootstrap_labels | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v1 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v2 |
| ef:activity/change/20260821T1122181958110000/10098 | synonyms | ef:agent/bootstrap_labels | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v2 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v3 |
| ef:activity/change/20260821T1122181958110000/57956 | context | ef:agent/default_context_mapping | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v3 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v4 |
| ef:activity/change/20260821T1122181958110000/57957 | context_iri | ef:agent/default_context_mapping | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v4 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v5 |
| ef:activity/change/20260821T1122181958110000/216692 | unit_iri | ef:agent/unit_normalization | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v5 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v6 |
| ef:activity/change/20260821T1122181958110000/236820 | properties | ef:agent/enrich_references | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v6 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v7 |
| ef:activity/change/20260821T1122181958110000/236821 | skos_definition | ef:agent/enrich_references | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v7 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v8 |
| ef:activity/change/20260821T1122181958110000/236822 | references | ef:agent/enrich_references | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v8 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v9 |
| ef:activity/change/20260821T1122181958110000/251090 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v9 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v10 |
| ef:activity/change/20260821T1122181958110000/255819 | altLabel | ef:agent/chebi_altlabels | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v10 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v11 |
| ef:activity/change/20260821T1122181958110000/260480 | altLabel | ef:agent/consensus_match | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v11 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v12 |
| ef:activity/change/20260821T1122181958110000/260481 | cas_match_labels | ef:agent/consensus_match | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v12 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v13 |
| ef:activity/change/20260821T1122181958110000/276272 | properties | ef:agent/opsin_iupac | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v13 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v14 |
| ef:activity/change/20260821T1122181958110000/282862 | properties | ef:agent/rdkit_post_consensus | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v14 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v15 |
| ef:activity/change/20260821T1122181958110000/289359 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v15 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v16 |
| ef:activity/change/20260821T1122181958110000/309998 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v16 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v17 |
| ef:activity/change/20260821T1122181958110000/390619 | properties | ef:agent/normalise_property_values | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v17 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v18 |
| ef:activity/change/20260821T1122181958110000/398304 | types | ef:agent/link_flows_to_their_substance | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v18 | ef:flow/1f9ee1f0-dd69-45bf-af03-fa30738fcdb7/v19 |