(6r,7r)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
Everything that changed this flow. Back to the flow
a7da3715-df31-43a5-a637-5308328beaa6
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=(6r,7r)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory']; cas_sources={'957-68-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-974cb0b51538fa83: {'957-68-6': '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 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=['957-68-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2255']; candidate_pubchem_cids=[13729, 441328, 7174696, 11346310, 14801272, 14801273, 45934635, 60167524, 71432826, 122174092]; selected_pubchem_cids=[441328]; 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 |
|---|---|---|---|---|---|
| 15,002 | bootstrap_labels | prefLabel | — | [{"@value":"(6r,7r)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","@langu… | Bootstrapped prefLabel from legacy name field |
| 15,003 | bootstrap_labels | name | (6r,7r)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | — | Purged legacy name field to enforce prefLabel usage |
| 15,004 | bootstrap_labels | synonyms | ["organic","3-acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid","7-aca","7-acs","7-am… | [] | Removed legacy synonyms field in favor of structured labels |
| 149,634 | 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 |
| 149,635 | 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 |
| 218,287 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,558 | normalize_name_case | prefLabel | [{"@value":"(6r,7r)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","@langu… | [{"@value":"(6r,7r)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid","@langu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,361 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,362 | enrich_references | skos_definition | — | [{"@value":"The α,β-unsaturated monocarboxylic acid that is the active nucleus for the synthesis of cephalosporins and… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,363 | enrich_references | references | [] | [{"@id":"beilstein:8919572","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['957-68-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2255']; candidate_pubchem_cids=[13729, 441328, 7174696, 11346310, 14801272, 14801273, 45934635, 60167524, 71432826, 122174092]; selected_pubchem_cids=[441328]; 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 |
| 252,410 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | rdkit_pre_consensus from 'CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O'; added: inchi2d_string, monoisotopic_mass |
| 256,389 | chebi_altlabels | altLabel | [] | [{"@value":"(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","@language":… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,811 | consensus_match | altLabel | [{"@value":"(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","@language":… | [{"@value":"(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","@language":… | group_key=(6r,7r)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=957-68-6; added Common Chemistry CAS names as altLabel: (6<em>R</em>,7<em>R</em>)-3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (7<em>R</em>)-7-Aminocephalosporanic acid, 3-(Acetoxymethyl)-7-aminocephem-4-carboxylic acid, 3-Acetoxymethyl-7-aminoceph-3-em-4-carboxylic acid, 3-Acetoxymethyl-7β-aminoceph-3-em-4-carboxylic acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6<em>R</em>,7<em>R</em>)-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6<em>R</em>-<em>trans</em>)-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(hydroxymethyl)-8-oxo-, acetate (ester), 7-ACS, 7-Amino-3-acetoxymethyl-3-cephem-4-carboxylic acid, 7-Amino-3-acetoxymethyl-Δ<sup>3</sup>-cephem-4-carboxylic acid, 7β-Amino-3-acetoxymethylcephemcarboxylic acid, 7β-Aminocephalosporanic acid; object_uuid=fo-974cb0b51538fa83 |
| 257,812 | consensus_match | cas_match_labels | — | {"957-68-6":"exactMatch"} | group_key=(6r,7r)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory']; cas_sources={'957-68-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-974cb0b51538fa83: {'957-68-6': 'exactMatch'} |
| 277,616 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid' |
| 284,314 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | rdkit_post_consensus from 'CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,824 | dedupe_altlabels | altLabel | [{"@value":"(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","@language":… | [{"@value":"(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","@language":… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,859 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a7da3715-df31-… | associations resolved on the elementary layer |
| 391,974 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | typed the way the ontology types it |
| 400,237 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,238 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12N2O5… | 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/20260820T0738569779880000/15002 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v0 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v1 |
| ef:activity/change/20260820T0738569779880000/15003 | name | ef:agent/bootstrap_labels | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v1 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v2 |
| ef:activity/change/20260820T0738569779880000/15004 | synonyms | ef:agent/bootstrap_labels | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v2 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v3 |
| ef:activity/change/20260820T0738569779880000/149634 | context | ef:agent/default_context_mapping | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v3 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v4 |
| ef:activity/change/20260820T0738569779880000/149635 | context_iri | ef:agent/default_context_mapping | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v4 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v5 |
| ef:activity/change/20260820T0738569779880000/218287 | unit_iri | ef:agent/unit_normalization | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v5 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v6 |
| ef:activity/change/20260820T0738569779880000/224558 | prefLabel | ef:agent/normalize_name_case | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v6 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v7 |
| ef:activity/change/20260820T0738569779880000/241361 | properties | ef:agent/enrich_references | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v7 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v8 |
| ef:activity/change/20260820T0738569779880000/241362 | skos_definition | ef:agent/enrich_references | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v8 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v9 |
| ef:activity/change/20260820T0738569779880000/241363 | references | ef:agent/enrich_references | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v9 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v10 |
| ef:activity/change/20260820T0738569779880000/252410 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v10 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v11 |
| ef:activity/change/20260820T0738569779880000/256389 | altLabel | ef:agent/chebi_altlabels | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v11 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v12 |
| ef:activity/change/20260820T0738569779880000/257811 | altLabel | ef:agent/consensus_match | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v12 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v13 |
| ef:activity/change/20260820T0738569779880000/257812 | cas_match_labels | ef:agent/consensus_match | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v13 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v14 |
| ef:activity/change/20260820T0738569779880000/277616 | properties | ef:agent/opsin_iupac | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v14 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v15 |
| ef:activity/change/20260820T0738569779880000/284314 | properties | ef:agent/rdkit_post_consensus | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v15 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v16 |
| ef:activity/change/20260820T0738569779880000/292824 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v16 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v17 |
| ef:activity/change/20260820T0738569779880000/355859 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v17 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v18 |
| ef:activity/change/20260820T0738569779880000/391974 | properties | ef:agent/normalise_property_values | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v18 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v19 |
| ef:activity/change/20260820T0738569779880000/400237 | types | ef:agent/link_flows_to_their_substance | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v19 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v20 |
| ef:activity/change/20260820T0738569779880000/400238 | properties | ef:agent/link_flows_to_their_substance | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v20 | ef:flow/a7da3715-df31-43a5-a637-5308328beaa6/v21 |