Sodium N-methyl-n-(1-oxo-9-octadecenyl)aminoacetate
Everything that changed this flow. Back to the flow
bff059d0-94ea-4b1f-b685-11c144b6248a
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 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=sodiumn-methyl-n-(1-oxo-9-octadecenyl)aminoacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3624-77-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6c45855c59231f25: {'3624-77-9': '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=['3624-77-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[23675452, 71437285, 131878468]; selected_pubchem_cids=[131878468]; 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 |
|---|---|---|---|---|---|
| 10,637 | bootstrap_labels | prefLabel | — | [{"@value":"sodium n-methyl-n-(1-oxo-9-octadecenyl)aminoacetate","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Bootstrapped prefLabel from legacy name field |
| 10,638 | bootstrap_labels | name | sodium n-methyl-n-(1-oxo-9-octadecenyl)aminoacetate | — | Purged legacy name field to enforce prefLabel usage |
| 10,639 | bootstrap_labels | synonyms | ["organic","sodiumn-methyl-n-(1-oxo-9-octadecenyl)aminoacetate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 163,524 | 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) |
| 163,525 | 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) |
| 216,867 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,582 | normalize_name_case | prefLabel | [{"@value":"sodium n-methyl-n-(1-oxo-9-octadecenyl)aminoacetate","@language":"en","source":{"prov:wasGeneratedBy":"boot… | [{"@value":"Sodium N-methyl-n-(1-oxo-9-octadecenyl)aminoacetate","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,308 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H39NNaO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,309 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,310 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=3624-77-9","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3624-77-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[23675452, 71437285, 131878468]; selected_pubchem_cids=[131878468]; 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 |
| 251,222 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H39NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H39NNaO… | rdkit_pre_consensus from 'CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,973 | consensus_match | altLabel | [] | [{"@value":"Glycine, <em>N</em>-methyl-<em>N</em>-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)","@language":"en","sourc… | group_key=sodiumn-methyl-n-(1-oxo-9-octadecenyl)aminoacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=3624-77-9; added Common Chemistry CAS names as altLabel: Glycine, <em>N</em>-methyl-<em>N</em>-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1), Glycine, <em>N</em>-methyl-<em>N</em>-(1-oxo-9-octadecenyl)-, sodium salt; object_uuid=fo-6c45855c59231f25 |
| 271,974 | consensus_match | cas_match_labels | — | {"3624-77-9":"exactMatch"} | group_key=sodiumn-methyl-n-(1-oxo-9-octadecenyl)aminoacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3624-77-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6c45855c59231f25: {'3624-77-9': 'exactMatch'} |
| 276,409 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H39NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H39NNaO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)' |
| 283,009 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H39NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38NNaO… | rdkit_post_consensus from 'CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,939 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H38NNaO… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,525 | dedupe_altlabels | altLabel | [{"@value":"Glycine, <em>N</em>-methyl-<em>N</em>-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)","@language":"en","sourc… | [{"@value":"Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)","@language":"en","source":{"prov:wasGener… | Deduplicated altLabel values and removed entries matching prefLabel |
| 362,787 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bff059d0-94ea-… | associations resolved on the elementary layer |
| 398,520 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1554374006150000/10637 | prefLabel | ef:agent/bootstrap_labels | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v0 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v1 |
| ef:activity/change/20260821T1554374006150000/10638 | name | ef:agent/bootstrap_labels | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v1 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v2 |
| ef:activity/change/20260821T1554374006150000/10639 | synonyms | ef:agent/bootstrap_labels | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v2 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v3 |
| ef:activity/change/20260821T1554374006150000/163524 | context | ef:agent/default_context_mapping | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v3 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v4 |
| ef:activity/change/20260821T1554374006150000/163525 | context_iri | ef:agent/default_context_mapping | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v4 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v5 |
| ef:activity/change/20260821T1554374006150000/216867 | unit_iri | ef:agent/unit_normalization | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v5 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v6 |
| ef:activity/change/20260821T1554374006150000/223582 | prefLabel | ef:agent/normalize_name_case | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v6 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v7 |
| ef:activity/change/20260821T1554374006150000/237308 | properties | ef:agent/enrich_references | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v7 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v8 |
| ef:activity/change/20260821T1554374006150000/237309 | skos_definition | ef:agent/enrich_references | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v8 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v9 |
| ef:activity/change/20260821T1554374006150000/237310 | references | ef:agent/enrich_references | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v9 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v10 |
| ef:activity/change/20260821T1554374006150000/251222 | properties | ef:agent/rdkit_pre_consensus | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v10 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v11 |
| ef:activity/change/20260821T1554374006150000/271973 | altLabel | ef:agent/consensus_match | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v11 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v12 |
| ef:activity/change/20260821T1554374006150000/271974 | cas_match_labels | ef:agent/consensus_match | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v12 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v13 |
| ef:activity/change/20260821T1554374006150000/276409 | properties | ef:agent/opsin_iupac | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v13 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v14 |
| ef:activity/change/20260821T1554374006150000/283009 | properties | ef:agent/rdkit_post_consensus | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v14 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v15 |
| ef:activity/change/20260821T1554374006150000/286939 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v15 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v16 |
| ef:activity/change/20260821T1554374006150000/292525 | altLabel | ef:agent/dedupe_altlabels | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v16 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v17 |
| ef:activity/change/20260821T1554374006150000/362787 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v17 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v18 |
| ef:activity/change/20260821T1554374006150000/398520 | types | ef:agent/link_flows_to_their_substance | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v18 | ef:flow/bff059d0-94ea-4b1f-b685-11c144b6248a/v19 |