Benzyl (2s)-3-methyl-2-[n-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate
Everything that changed this flow. Back to the flow
3b0ebd70-b54d-4652-ab68-3ef2ee884cbb
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 | 2 | 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=benzyl(2s)-3-methyl-2-[n-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'137863-20-8': []}; assigned CAS labels from group consensus; object_uuid=fo-507ce4613fef3ed1: {'137863-20-8': '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=['137863-20-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[11283894, 21840331, 91668330]; selected_pubchem_cids=[11283894]; 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 |
|---|---|---|---|---|---|
| 3,032 | bootstrap_labels | prefLabel | — | [{"@value":"benzyl (2s)-3-methyl-2-[n-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate","@la… | Bootstrapped prefLabel from legacy name field |
| 3,033 | bootstrap_labels | name | benzyl (2s)-3-methyl-2-[n-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate | — | Purged legacy name field to enforce prefLabel usage |
| 3,034 | bootstrap_labels | synonyms | ["organic","l-valine,n-(1-oxopentyl)-n-[[2'","-(2h-tetrazol-5-yl)[1,1'","-biphenyl]-4-yl]methyl]-,phenylmethyle… | [] | Removed legacy synonyms field in favor of structured labels |
| 75,704 | 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) |
| 75,705 | 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) |
| 214,351 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,785 | normalize_name_case | prefLabel | [{"@value":"benzyl (2s)-3-methyl-2-[n-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate","@la… | [{"@value":"Benzyl (2s)-3-methyl-2-[n-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate","@la… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,091 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,092 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,093 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.195.519C","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['137863-20-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[11283894, 21840331, 91668330]; selected_pubchem_cids=[11283894]; 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 |
| 249,157 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | rdkit_pre_consensus from 'CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)OCC4=CC=CC=C4'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 264,186 | consensus_match | altLabel | [] | [{"@value":"(<em>S</em>)-Benzyl 2-(<em>N</em>-((2′-(1<em>H</em>-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)… | group_key=benzyl(2s)-3-methyl-2-[n-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate||dimension=Environmental > media=Water > water_body=Ocean; cas=137863-20-8; added Common Chemistry CAS names as altLabel: (<em>S</em>)-Benzyl 2-(<em>N</em>-((2′-(1<em>H</em>-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate, <em>N</em>-(1-Oxopentyl)-<em>N</em>-[[2′-(2<em>H</em>-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-<span class="text-smallcaps">L</span>-valine phenylmethyl ester, <span class="text-smallcaps">L</span>-Valine, <em>N</em>-(1-oxopentyl)-<em>N</em>-[[2′-(1<em>H</em>-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, phenylmethyl ester, <span class="text-smallcaps">L</span>-Valine, <em>N</em>-(1-oxopentyl)-<em>N</em>-[[2′-(2<em>H</em>-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, phenylmethyl ester; object_uuid=fo-507ce4613fef3ed1 |
| 264,187 | consensus_match | cas_match_labels | — | {"137863-20-8":"exactMatch"} | group_key=benzyl(2s)-3-methyl-2-[n-({4-[2-(1h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'137863-20-8': []}; assigned CAS labels from group consensus; object_uuid=fo-507ce4613fef3ed1: {'137863-20-8': 'exactMatch'} |
| 274,273 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(S)-Benzyl 2-(N-((2′-(1H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate' |
| 280,702 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | rdkit_post_consensus from 'CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,144 | dedupe_altlabels | altLabel | [{"@value":"(<em>S</em>)-Benzyl 2-(<em>N</em>-((2′-(1<em>H</em>-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)… | [{"@value":"(S)-Benzyl 2-(N-((2′-(1H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate","@langu… | Deduplicated altLabel values and removed entries matching prefLabel |
| 318,867 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3b0ebd70-b54d-… | associations resolved on the elementary layer |
| 388,569 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | typed the way the ontology types it |
| 395,364 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 395,365 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C31H35N5O3… | 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/20260821T1554374006150000/3032 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v0 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v1 |
| ef:activity/change/20260821T1554374006150000/3033 | name | ef:agent/bootstrap_labels | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v1 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v2 |
| ef:activity/change/20260821T1554374006150000/3034 | synonyms | ef:agent/bootstrap_labels | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v2 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v3 |
| ef:activity/change/20260821T1554374006150000/75704 | context | ef:agent/default_context_mapping | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v3 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v4 |
| ef:activity/change/20260821T1554374006150000/75705 | context_iri | ef:agent/default_context_mapping | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v4 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v5 |
| ef:activity/change/20260821T1554374006150000/214351 | unit_iri | ef:agent/unit_normalization | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v5 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v6 |
| ef:activity/change/20260821T1554374006150000/221785 | prefLabel | ef:agent/normalize_name_case | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v6 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v7 |
| ef:activity/change/20260821T1554374006150000/230091 | properties | ef:agent/enrich_references | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v7 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v8 |
| ef:activity/change/20260821T1554374006150000/230092 | skos_definition | ef:agent/enrich_references | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v8 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v9 |
| ef:activity/change/20260821T1554374006150000/230093 | references | ef:agent/enrich_references | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v9 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v10 |
| ef:activity/change/20260821T1554374006150000/249157 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v10 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v11 |
| ef:activity/change/20260821T1554374006150000/264186 | altLabel | ef:agent/consensus_match | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v11 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v12 |
| ef:activity/change/20260821T1554374006150000/264187 | cas_match_labels | ef:agent/consensus_match | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v12 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v13 |
| ef:activity/change/20260821T1554374006150000/274273 | properties | ef:agent/opsin_iupac | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v13 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v14 |
| ef:activity/change/20260821T1554374006150000/280702 | properties | ef:agent/rdkit_post_consensus | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v14 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v15 |
| ef:activity/change/20260821T1554374006150000/292144 | altLabel | ef:agent/dedupe_altlabels | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v15 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v16 |
| ef:activity/change/20260821T1554374006150000/318867 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v16 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v17 |
| ef:activity/change/20260821T1554374006150000/388569 | properties | ef:agent/normalise_property_values | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v17 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v18 |
| ef:activity/change/20260821T1554374006150000/395364 | types | ef:agent/link_flows_to_their_substance | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v18 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v19 |
| ef:activity/change/20260821T1554374006150000/395365 | properties | ef:agent/link_flows_to_their_substance | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v19 | ef:flow/3b0ebd70-b54d-4652-ab68-3ef2ee884cbb/v20 |