N-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminium Hydroxide
Everything that changed this flow. Back to the flow
52137438-8800-4784-aa9f-71bae13d7083
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'LHSB 35' (grade code) |
| 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=n-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminiumhydroxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'19223-55-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bbbda16512b52e2c: {'19223-55-3': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['19223-55-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[83841, 241019, 21115948]; selected_pubchem_cids=[83841]; 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 |
|---|---|---|---|---|---|
| 1,081 | bootstrap_labels | prefLabel | — | [{"@value":"n-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminium hydroxide","@language":"en","s… | Bootstrapped prefLabel from legacy name field |
| 1,082 | bootstrap_labels | name | n-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminium hydroxide | — | Purged legacy name field to enforce prefLabel usage |
| 1,083 | bootstrap_labels | synonyms | ["organic","(2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammoniumhydroxide"] | [] | Removed legacy synonyms field in favor of structured labels |
| 98,722 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 98,723 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 213,695 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,343 | normalize_name_case | prefLabel | [{"@value":"n-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminium hydroxide","@language":"en","s… | [{"@value":"N-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminium Hydroxide","@language":"en","s… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,210 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,211 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,212 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J422.036F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['19223-55-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[83841, 241019, 21115948]; selected_pubchem_cids=[83841]; 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 |
| 248,610 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | rdkit_pre_consensus from 'CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O'; added: molecular_mass, monoisotopic_mass |
| 269,446 | consensus_match | altLabel | [] | [{"@value":"1-Propanaminium, 2-hydroxy-<em>N</em>,<em>N</em>-dimethyl-<em>N</em>-[3-[(1-oxododecyl)amino]propyl]-3-sulf… | group_key=n-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminiumhydroxide||dimension=Environmental > media=Air > strata=Unknown; cas=19223-55-3; added Common Chemistry CAS names as altLabel: 1-Propanaminium, 2-hydroxy-<em>N</em>,<em>N</em>-dimethyl-<em>N</em>-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, hydroxide, inner salt, 1-Propanaminium, 2-hydroxy-<em>N</em>,<em>N</em>-dimethyl-<em>N</em>-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt, 3-[(Lauramidoethyl)dimethylammonio]-2-hydroxypropanesulfonate, Ammonium, (2-hydroxy-3-sulfopropyl)(3-lauramidopropyl)dimethyl-, hydroxide, inner salt, Cola Teric CBS-HP, LHSB 35, Lauramidopropyl hydroxysultaine, Ralufon CAS-OH, Softazoline LSB-R; object_uuid=fo-bbbda16512b52e2c |
| 269,447 | consensus_match | cas_match_labels | — | {"19223-55-3":"exactMatch"} | group_key=n-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminiumhydroxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'19223-55-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bbbda16512b52e2c: {'19223-55-3': 'exactMatch'} |
| 273,733 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[(Lauramidoethyl)dimethylammonio]-2-hydroxypropanesulfonate' |
| 280,109 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H40N2O5… | rdkit_post_consensus from 'CCCCCCCCCCCC(=O)NCC[N+](C)(C)CC(O)CS(=O)(=O)[O-]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,639 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H40N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | withhold_contradicted_composition: the registry registers [(('C', 20), ('N', 2), ('O', 5), ('S', 1))], contradicting ['C19H40N2O5S'] from ['rdkit_post_consensus']; withdrew inchi2d_key_string x1, molecular_formula x1, molecular_mass x1, monoisotopic_mass x1 |
| 287,466 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Propanaminium, 2-hydroxy-<em>N</em>,<em>N</em>-dimethyl-<em>N</em>-[3-[(1-oxododecyl)amino]propyl]-3-sulf… | [{"@value":"1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, hydroxide, inner salt",… | Removed 1 catalogue altLabel value(s): 'LHSB 35' (grade code) |
| 330,352 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/52137438-8800-… | associations resolved on the elementary layer |
| 388,006 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H42N2O5… | typed the way the ontology types it |
| 394,583 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/Zwitterion"] | 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/20260820T1812399309960000/1081 | prefLabel | ef:agent/bootstrap_labels | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v0 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v1 |
| ef:activity/change/20260820T1812399309960000/1082 | name | ef:agent/bootstrap_labels | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v1 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v2 |
| ef:activity/change/20260820T1812399309960000/1083 | synonyms | ef:agent/bootstrap_labels | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v2 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v3 |
| ef:activity/change/20260820T1812399309960000/98722 | context | ef:agent/default_context_mapping | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v3 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v4 |
| ef:activity/change/20260820T1812399309960000/98723 | context_iri | ef:agent/default_context_mapping | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v4 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v5 |
| ef:activity/change/20260820T1812399309960000/213695 | unit_iri | ef:agent/unit_normalization | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v5 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v6 |
| ef:activity/change/20260820T1812399309960000/221343 | prefLabel | ef:agent/normalize_name_case | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v6 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v7 |
| ef:activity/change/20260820T1812399309960000/228210 | properties | ef:agent/enrich_references | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v7 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v8 |
| ef:activity/change/20260820T1812399309960000/228211 | skos_definition | ef:agent/enrich_references | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v8 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v9 |
| ef:activity/change/20260820T1812399309960000/228212 | references | ef:agent/enrich_references | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v9 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v10 |
| ef:activity/change/20260820T1812399309960000/248610 | properties | ef:agent/rdkit_pre_consensus | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v10 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v11 |
| ef:activity/change/20260820T1812399309960000/269446 | altLabel | ef:agent/consensus_match | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v11 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v12 |
| ef:activity/change/20260820T1812399309960000/269447 | cas_match_labels | ef:agent/consensus_match | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v12 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v13 |
| ef:activity/change/20260820T1812399309960000/273733 | properties | ef:agent/opsin_iupac | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v13 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v14 |
| ef:activity/change/20260820T1812399309960000/280109 | properties | ef:agent/rdkit_post_consensus | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v14 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v15 |
| ef:activity/change/20260820T1812399309960000/286639 | properties | ef:agent/withhold_contradicted_composition | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v15 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v16 |
| ef:activity/change/20260820T1812399309960000/287466 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v16 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v17 |
| ef:activity/change/20260820T1812399309960000/330352 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v17 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v18 |
| ef:activity/change/20260820T1812399309960000/388006 | properties | ef:agent/normalise_property_values | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v18 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v19 |
| ef:activity/change/20260820T1812399309960000/394583 | types | ef:agent/link_flows_to_their_substance | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v19 | ef:flow/52137438-8800-4784-aa9f-71bae13d7083/v20 |