Ampicillin Trihydrate
Everything that changed this flow. Back to the flow
8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=ampicillintrihydrate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'7177-48-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8161a3ef310c8fdf: {'7177-48-2': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7177-48-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_31209']; candidate_pubchem_cids=[2174, 6249, 23565, 22179108, 70582210, 117590587, 124080930, 135391157]; selected_pubchem_cids=[23565]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,035 | bootstrap_labels | prefLabel | — | [{"@value":"ampicillin trihydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 4,036 | bootstrap_labels | name | ampicillin trihydrate | — | Purged legacy name field to enforce prefLabel usage |
| 4,037 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 132,916 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 132,917 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,688 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,021 | normalize_name_case | prefLabel | [{"@value":"ampicillin trihydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Ampicillin Trihydrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,065 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,066 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,067 | enrich_references | references | [] | [{"@id":"beilstein:5399534","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['7177-48-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_31209']; candidate_pubchem_cids=[2174, 6249, 23565, 22179108, 70582210, 117590587, 124080930, 135391157]; selected_pubchem_cids=[23565]; 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 |
| 249,435 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | rdkit_pre_consensus from 'CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O'; added: inchi2d_string, monoisotopic_mass |
| 254,894 | chebi_altlabels | altLabel | [] | [{"@value":"(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-ca… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,865 | consensus_match | altLabel | [{"@value":"(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-ca… | [{"@value":"(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-ca… | group_key=ampicillintrihydrate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=7177-48-2; added Common Chemistry CAS names as altLabel: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, trihydrate, <span class="text-smallcaps">D</span>-(-)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, trihydrate, [2<em>S</em>-[2α,5α,6β(<em>S</em>*)]]-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2<em>R</em>)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, hydrate (1:3), (2<em>S</em>,5<em>R</em>,6<em>R</em>)-, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2<em>R</em>)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, (2<em>S</em>,5<em>R</em>,6<em>R</em>)-, Polycillin, [<span class="text-smallcaps">D</span>-(-)-α-Aminobenzyl]penicillin trihydrate, α-Aminobenzylpenicillin trihydrate; object_uuid=fo-8161a3ef310c8fdf |
| 263,866 | consensus_match | cas_match_labels | — | {"7177-48-2":"exactMatch"} | group_key=ampicillintrihydrate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'pubchem']; cas_sources={'7177-48-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8161a3ef310c8fdf: {'7177-48-2': 'exactMatch'} |
| 274,567 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate' |
| 281,017 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | rdkit_post_consensus from 'CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O.O.O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,186 | dedupe_altlabels | altLabel | [{"@value":"(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-ca… | [{"@value":"(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-ca… | Deduplicated altLabel values and removed entries matching prefLabel |
| 347,453 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8bbbdc63-4e20-… | associations resolved on the elementary layer |
| 388,873 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | typed the way the ontology types it |
| 395,789 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 395,790 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H19N3O4… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1554374006150000/4035 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v0 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v1 |
| ef:activity/change/20260821T1554374006150000/4036 | name | ef:agent/bootstrap_labels | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v1 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v2 |
| ef:activity/change/20260821T1554374006150000/4037 | synonyms | ef:agent/bootstrap_labels | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v2 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v3 |
| ef:activity/change/20260821T1554374006150000/132916 | context | ef:agent/default_context_mapping | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v3 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v4 |
| ef:activity/change/20260821T1554374006150000/132917 | context_iri | ef:agent/default_context_mapping | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v4 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v5 |
| ef:activity/change/20260821T1554374006150000/214688 | unit_iri | ef:agent/unit_normalization | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v5 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v6 |
| ef:activity/change/20260821T1554374006150000/222021 | prefLabel | ef:agent/normalize_name_case | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v6 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v7 |
| ef:activity/change/20260821T1554374006150000/231065 | properties | ef:agent/enrich_references | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v7 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v8 |
| ef:activity/change/20260821T1554374006150000/231066 | skos_definition | ef:agent/enrich_references | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v8 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v9 |
| ef:activity/change/20260821T1554374006150000/231067 | references | ef:agent/enrich_references | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v9 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v10 |
| ef:activity/change/20260821T1554374006150000/249435 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v10 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v11 |
| ef:activity/change/20260821T1554374006150000/254894 | altLabel | ef:agent/chebi_altlabels | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v11 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v12 |
| ef:activity/change/20260821T1554374006150000/263865 | altLabel | ef:agent/consensus_match | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v12 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v13 |
| ef:activity/change/20260821T1554374006150000/263866 | cas_match_labels | ef:agent/consensus_match | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v13 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v14 |
| ef:activity/change/20260821T1554374006150000/274567 | properties | ef:agent/opsin_iupac | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v14 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v15 |
| ef:activity/change/20260821T1554374006150000/281017 | properties | ef:agent/rdkit_post_consensus | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v15 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v16 |
| ef:activity/change/20260821T1554374006150000/292186 | altLabel | ef:agent/dedupe_altlabels | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v16 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v17 |
| ef:activity/change/20260821T1554374006150000/347453 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v17 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v18 |
| ef:activity/change/20260821T1554374006150000/388873 | properties | ef:agent/normalise_property_values | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v18 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v19 |
| ef:activity/change/20260821T1554374006150000/395789 | types | ef:agent/link_flows_to_their_substance | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v19 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v20 |
| ef:activity/change/20260821T1554374006150000/395790 | properties | ef:agent/link_flows_to_their_substance | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v20 | ef:flow/8bbbdc63-4e20-4c70-a911-ceecbb4f0d0b/v21 |