Sodium 2-(dodecanoyloxy)ethanesulfonate
Everything that changed this flow. Back to the flow
59051ce4-7929-4c2c-b140-56db4e46203a
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=sodium2-(dodecanoyloxy)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; cas=7381-01-3; added Common Chemistry CAS names as altLabel: 2-Sulfoethyl dodecanoate sodium salt, 2-Sulfoethyl laurate sodium salt, Dodecanoic acid, 2-sulfoethyl ester, sodium salt, Dodecanoic acid, 2-sulfoethyl ester, sodium salt (1:1), Ethanesulfonic acid, 2-hydroxy-, laurate, sodium salt, Igepon A, Lauric acid isethionate sodium salt ester, Lauric acid, ester with 2-hydroxyethanesulfonic acid, sodium salt, Sodium 2-sulfoethyl laurate, Sodium Lauroylisethionate; object_uuid=fo-a92e9ed76ab16cb4 |
| cas_match_labels | 1 | consensus_match | group_key=sodium2-(dodecanoyloxy)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7381-01-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a92e9ed76ab16cb4: {'7381-01-3': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7381-01-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[252122, 23668826, 23713883, 53471432, 87068660, 87732187]; selected_pubchem_cids=[87732187]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,041 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2-(dodecanoyloxy)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 6,042 | bootstrap_labels | name | sodium 2-(dodecanoyloxy)ethanesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 6,043 | bootstrap_labels | synonyms | ["organic","sodium2-sulphonatoethyllaurate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 102,686 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 102,687 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 215,358 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,489 | normalize_name_case | prefLabel | [{"@value":"sodium 2-(dodecanoyloxy)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"Sodium 2-(dodecanoyloxy)ethanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,988 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28NaO5… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,989 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,990 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=7381-01-3","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['7381-01-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[252122, 23668826, 23713883, 53471432, 87068660, 87732187]; selected_pubchem_cids=[87732187]; 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 |
| 249,991 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28NaO5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28NaO5… | rdkit_pre_consensus from 'CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,705 | consensus_match | altLabel | [] | [{"@value":"2-Sulfoethyl dodecanoate sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=sodium2-(dodecanoyloxy)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; cas=7381-01-3; added Common Chemistry CAS names as altLabel: 2-Sulfoethyl dodecanoate sodium salt, 2-Sulfoethyl laurate sodium salt, Dodecanoic acid, 2-sulfoethyl ester, sodium salt, Dodecanoic acid, 2-sulfoethyl ester, sodium salt (1:1), Ethanesulfonic acid, 2-hydroxy-, laurate, sodium salt, Igepon A, Lauric acid isethionate sodium salt ester, Lauric acid, ester with 2-hydroxyethanesulfonic acid, sodium salt, Sodium 2-sulfoethyl laurate, Sodium Lauroylisethionate; object_uuid=fo-a92e9ed76ab16cb4 |
| 271,706 | consensus_match | cas_match_labels | — | {"7381-01-3":"exactMatch"} | group_key=sodium2-(dodecanoyloxy)ethanesulfonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7381-01-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a92e9ed76ab16cb4: {'7381-01-3': 'exactMatch'} |
| 275,125 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28NaO5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28NaO5… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 2-(dodecanoyloxy)ethanesulfonate' |
| 281,622 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H28NaO5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NaO5… | rdkit_post_consensus from 'CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,848 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NaO5… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H27NaO5… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 332,340 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/59051ce4-7929-… | associations resolved on the elementary layer |
| 396,582 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1302361922970000/6041 | prefLabel | ef:agent/bootstrap_labels | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v0 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v1 |
| ef:activity/change/20260821T1302361922970000/6042 | name | ef:agent/bootstrap_labels | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v1 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v2 |
| ef:activity/change/20260821T1302361922970000/6043 | synonyms | ef:agent/bootstrap_labels | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v2 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v3 |
| ef:activity/change/20260821T1302361922970000/102686 | context | ef:agent/default_context_mapping | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v3 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v4 |
| ef:activity/change/20260821T1302361922970000/102687 | context_iri | ef:agent/default_context_mapping | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v4 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v5 |
| ef:activity/change/20260821T1302361922970000/215358 | unit_iri | ef:agent/unit_normalization | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v5 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v6 |
| ef:activity/change/20260821T1302361922970000/222489 | prefLabel | ef:agent/normalize_name_case | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v6 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v7 |
| ef:activity/change/20260821T1302361922970000/232988 | properties | ef:agent/enrich_references | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v7 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v8 |
| ef:activity/change/20260821T1302361922970000/232989 | skos_definition | ef:agent/enrich_references | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v8 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v9 |
| ef:activity/change/20260821T1302361922970000/232990 | references | ef:agent/enrich_references | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v9 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v10 |
| ef:activity/change/20260821T1302361922970000/249991 | properties | ef:agent/rdkit_pre_consensus | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v10 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v11 |
| ef:activity/change/20260821T1302361922970000/271705 | altLabel | ef:agent/consensus_match | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v11 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v12 |
| ef:activity/change/20260821T1302361922970000/271706 | cas_match_labels | ef:agent/consensus_match | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v12 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v13 |
| ef:activity/change/20260821T1302361922970000/275125 | properties | ef:agent/opsin_iupac | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v13 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v14 |
| ef:activity/change/20260821T1302361922970000/281622 | properties | ef:agent/rdkit_post_consensus | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v14 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v15 |
| ef:activity/change/20260821T1302361922970000/286848 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v15 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v16 |
| ef:activity/change/20260821T1302361922970000/332340 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v16 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v17 |
| ef:activity/change/20260821T1302361922970000/396582 | types | ef:agent/link_flows_to_their_substance | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v17 | ef:flow/59051ce4-7929-4c2c-b140-56db4e46203a/v18 |