Sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate
Everything that changed this flow. Back to the flow
73c1b603-8196-423c-b09f-4c8ea510f419
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=sodium3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'94441-92-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d6b610cc70c6e7a: {'94441-92-6': '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=['94441-92-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44147422, 87773104, 121513997]; selected_pubchem_cids=[121513997]; 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 |
|---|---|---|---|---|---|
| 18,610 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate","@language":"en","source":{"prov:wasGeneratedBy":… | Bootstrapped prefLabel from legacy name field |
| 18,611 | bootstrap_labels | name | sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate | — | Purged legacy name field to enforce prefLabel usage |
| 18,612 | bootstrap_labels | synonyms | ["organic","sodiumn-(2-carboxyethyl)-n-(2-ethylhexyl)-î²-alaninate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 118,718 | 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 |
| 118,719 | 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 |
| 219,419 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,331 | normalize_name_case | prefLabel | [{"@value":"sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"Sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate","@language":"en","source":{"prov:wasGeneratedBy":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,553 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NNaO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,554 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,555 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=94441-92-6","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['94441-92-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[44147422, 87773104, 121513997]; selected_pubchem_cids=[121513997]; 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 |
| 253,325 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NNaO… | rdkit_pre_consensus from 'CCCCC(CC)CN(CCC(=O)O)CCC(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,759 | consensus_match | altLabel | [] | [{"@value":"Amphotensid EH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | group_key=sodium3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=94441-92-6; added Common Chemistry CAS names as altLabel: Amphotensid EH, ColaTeric ZF 50, Sodium 2-ethylhexyliminodipropionate, β-Alanine, <em>N</em>-(2-carboxyethyl)-<em>N</em>-(2-ethylhexyl)-, monosodium salt, β-Alanine, <em>N</em>-(2-carboxyethyl)-<em>N</em>-(2-ethylhexyl)-, sodium salt (1:1); object_uuid=fo-9d6b610cc70c6e7a |
| 271,760 | consensus_match | cas_match_labels | — | {"94441-92-6":"exactMatch"} | group_key=sodium3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'94441-92-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d6b610cc70c6e7a: {'94441-92-6': 'exactMatch'} |
| 278,538 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NNaO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate' |
| 285,306 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26NNaO… | rdkit_post_consensus from 'CCCCC(CC)CN(CCC(=O)[O-])CCC(=O)O.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,130 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26NNaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H26NNaO… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 293,001 | dedupe_altlabels | altLabel | [{"@value":"Amphotensid EH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | [{"@value":"Amphotensid EH","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 340,357 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/73c1b603-8196-… | associations resolved on the elementary layer |
| 401,593 | 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/20260821T1554374006150000/18610 | prefLabel | ef:agent/bootstrap_labels | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v0 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v1 |
| ef:activity/change/20260821T1554374006150000/18611 | name | ef:agent/bootstrap_labels | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v1 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v2 |
| ef:activity/change/20260821T1554374006150000/18612 | synonyms | ef:agent/bootstrap_labels | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v2 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v3 |
| ef:activity/change/20260821T1554374006150000/118718 | context | ef:agent/default_context_mapping | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v3 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v4 |
| ef:activity/change/20260821T1554374006150000/118719 | context_iri | ef:agent/default_context_mapping | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v4 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v5 |
| ef:activity/change/20260821T1554374006150000/219419 | unit_iri | ef:agent/unit_normalization | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v5 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v6 |
| ef:activity/change/20260821T1554374006150000/225331 | prefLabel | ef:agent/normalize_name_case | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v6 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v7 |
| ef:activity/change/20260821T1554374006150000/244553 | properties | ef:agent/enrich_references | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v7 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v8 |
| ef:activity/change/20260821T1554374006150000/244554 | skos_definition | ef:agent/enrich_references | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v8 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v9 |
| ef:activity/change/20260821T1554374006150000/244555 | references | ef:agent/enrich_references | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v9 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v10 |
| ef:activity/change/20260821T1554374006150000/253325 | properties | ef:agent/rdkit_pre_consensus | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v10 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v11 |
| ef:activity/change/20260821T1554374006150000/271759 | altLabel | ef:agent/consensus_match | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v11 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v12 |
| ef:activity/change/20260821T1554374006150000/271760 | cas_match_labels | ef:agent/consensus_match | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v12 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v13 |
| ef:activity/change/20260821T1554374006150000/278538 | properties | ef:agent/opsin_iupac | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v13 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v14 |
| ef:activity/change/20260821T1554374006150000/285306 | properties | ef:agent/rdkit_post_consensus | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v14 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v15 |
| ef:activity/change/20260821T1554374006150000/287130 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v15 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v16 |
| ef:activity/change/20260821T1554374006150000/293001 | altLabel | ef:agent/dedupe_altlabels | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v16 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v17 |
| ef:activity/change/20260821T1554374006150000/340357 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v17 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v18 |
| ef:activity/change/20260821T1554374006150000/401593 | types | ef:agent/link_flows_to_their_substance | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v18 | ef:flow/73c1b603-8196-423c-b09f-4c8ea510f419/v19 |