Isooctyl 3-mercaptopropionate
Everything that changed this flow. Back to the flow
af4eb5fa-918a-45de-a109-c1873092b352
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Evabopol 498' (trade name) |
| 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=isooctyl3-mercaptopropionate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'30374-01-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aaf867e077e04391: {'30374-01-7': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['30374-01-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[104386]; selected_pubchem_cids=[104386]; 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 |
|---|---|---|---|---|---|
| 21,413 | bootstrap_labels | prefLabel | — | [{"@value":"isooctyl 3-mercaptopropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 21,414 | bootstrap_labels | name | isooctyl 3-mercaptopropionate | — | Purged legacy name field to enforce prefLabel usage |
| 21,415 | bootstrap_labels | synonyms | ["organic","isooctyl3-mercaptopropionate","iomp","iso-octyl3-mercaptopropionate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 154,046 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 154,047 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 220,213 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,938 | normalize_name_case | prefLabel | [{"@value":"isooctyl 3-mercaptopropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Isooctyl 3-mercaptopropionate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,760 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,761 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,762 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J249.969J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['30374-01-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[104386]; selected_pubchem_cids=[104386]; 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 |
| 253,967 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | rdkit_pre_consensus from 'CC(C)CCCCCOC(=O)CCS'; added: molecular_mass, monoisotopic_mass |
| 268,130 | consensus_match | altLabel | [] | [{"@value":"Evabopol 498","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | group_key=isooctyl3-mercaptopropionate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=30374-01-7; added Common Chemistry CAS names as altLabel: Evabopol 498, Isooctyl 3-mercaptopropioate, Isooctyl mercaptopropionate, Isooctyl β-mercaptopropionate, Propanoic acid, 3-mercapto-, isooctyl ester, Propionic acid, 3-mercapto-, isooctyl ester; object_uuid=fo-aaf867e077e04391 |
| 268,131 | consensus_match | cas_match_labels | — | {"30374-01-7":"exactMatch"} | group_key=isooctyl3-mercaptopropionate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'30374-01-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aaf867e077e04391: {'30374-01-7': 'exactMatch'} |
| 279,159 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isooctyl 3-mercaptopropionate' |
| 286,014 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | rdkit_post_consensus from 'CC(C)CCCCCOC(=O)CCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,458 | strip_catalogue_altlabels | altLabel | [{"@value":"Evabopol 498","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | [{"@value":"Isooctyl 3-mercaptopropioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Removed 1 catalogue altLabel value(s): 'Evabopol 498' (trade name) |
| 358,046 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/af4eb5fa-918a-… | associations resolved on the elementary layer |
| 393,546 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H22O2S"… | typed the way the ontology types it |
| 402,591 | 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/20260822T0600486828500000/21413 | prefLabel | ef:agent/bootstrap_labels | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v0 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v1 |
| ef:activity/change/20260822T0600486828500000/21414 | name | ef:agent/bootstrap_labels | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v1 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v2 |
| ef:activity/change/20260822T0600486828500000/21415 | synonyms | ef:agent/bootstrap_labels | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v2 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v3 |
| ef:activity/change/20260822T0600486828500000/154046 | context | ef:agent/default_context_mapping | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v3 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v4 |
| ef:activity/change/20260822T0600486828500000/154047 | context_iri | ef:agent/default_context_mapping | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v4 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v5 |
| ef:activity/change/20260822T0600486828500000/220213 | unit_iri | ef:agent/unit_normalization | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v5 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v6 |
| ef:activity/change/20260822T0600486828500000/225938 | prefLabel | ef:agent/normalize_name_case | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v6 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v7 |
| ef:activity/change/20260822T0600486828500000/246760 | properties | ef:agent/enrich_references | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v7 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v8 |
| ef:activity/change/20260822T0600486828500000/246761 | skos_definition | ef:agent/enrich_references | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v8 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v9 |
| ef:activity/change/20260822T0600486828500000/246762 | references | ef:agent/enrich_references | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v9 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v10 |
| ef:activity/change/20260822T0600486828500000/253967 | properties | ef:agent/rdkit_pre_consensus | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v10 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v11 |
| ef:activity/change/20260822T0600486828500000/268130 | altLabel | ef:agent/consensus_match | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v11 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v12 |
| ef:activity/change/20260822T0600486828500000/268131 | cas_match_labels | ef:agent/consensus_match | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v12 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v13 |
| ef:activity/change/20260822T0600486828500000/279159 | properties | ef:agent/opsin_iupac | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v13 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v14 |
| ef:activity/change/20260822T0600486828500000/286014 | properties | ef:agent/rdkit_post_consensus | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v14 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v15 |
| ef:activity/change/20260822T0600486828500000/291458 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v15 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v16 |
| ef:activity/change/20260822T0600486828500000/358046 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v16 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v17 |
| ef:activity/change/20260822T0600486828500000/393546 | properties | ef:agent/normalise_property_values | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v17 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v18 |
| ef:activity/change/20260822T0600486828500000/402591 | types | ef:agent/link_flows_to_their_substance | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v18 | ef:flow/af4eb5fa-918a-45de-a109-c1873092b352/v19 |