Lithium 12-hydroxyoctadecanoate
Everything that changed this flow. Back to the flow
6d9b7a19-3e72-483a-a857-552d7809c9fe
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, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'LS 6' (grade code), 'NLGI 3' (grade code), 'S 7000H' (grade code), 'S 700H' (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=lithium12-hydroxyoctadecanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7620-77-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-41b8ed49ba804a29: {'7620-77-1': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7620-77-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[23668746, 57473796]; selected_pubchem_cids=[57473796]; 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 |
|---|---|---|---|---|---|
| 123 | bootstrap_labels | prefLabel | — | [{"@value":"lithium 12-hydroxyoctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 124 | bootstrap_labels | name | lithium 12-hydroxyoctadecanoate | — | Purged legacy name field to enforce prefLabel usage |
| 125 | bootstrap_labels | synonyms | ["organometallic","lithium12-hydroxystearate","smarå?t4,å?t4s,ep,epxiinneozawartoå?cimydeå?litowychâ??lithium12hydroxys… | [] | Removed legacy synonyms field in favor of structured labels |
| 115,056 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 115,057 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 213,379 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,125 | normalize_name_case | prefLabel | [{"@value":"lithium 12-hydroxyoctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Lithium 12-hydroxyoctadecanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,286 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36LiO3… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,287 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,288 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=7620-77-1","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['7620-77-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[23668746, 57473796]; selected_pubchem_cids=[57473796]; 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 |
| 248,345 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36LiO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36LiO3… | rdkit_pre_consensus from '[Li].CCCCCCC(CCCCCCCCCCC(=O)O)O'; added: molecular_mass, monoisotopic_mass |
| 268,411 | consensus_match | altLabel | [] | [{"@value":"12-Hydroxystearic acid lithium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=lithium12-hydroxyoctadecanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=7620-77-1; added Common Chemistry CAS names as altLabel: 12-Hydroxystearic acid lithium salt, Daiwax OHL, LS 6, Ligastar LI 12 OXY, Lithium 12-hydroxystearate, NLGI 3, OHL, Octadecanoic acid, 12-hydroxy-, lithium salt (1:1), Octadecanoic acid, 12-hydroxy-, monolithium salt, S 7000H, S 700H; object_uuid=fo-41b8ed49ba804a29 |
| 268,412 | consensus_match | cas_match_labels | — | {"7620-77-1":"exactMatch"} | group_key=lithium12-hydroxyoctadecanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'7620-77-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-41b8ed49ba804a29: {'7620-77-1': 'exactMatch'} |
| 273,488 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36LiO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36LiO3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Lithium 12-hydroxyoctadecanoate' |
| 279,839 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H36LiO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35LiO3… | rdkit_post_consensus from 'CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[Li+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,727 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35LiO3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H35LiO3… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,292 | strip_catalogue_altlabels | altLabel | [{"@value":"12-Hydroxystearic acid lithium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"12-Hydroxystearic acid lithium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 4 catalogue altLabel value(s): 'LS 6' (grade code), 'NLGI 3' (grade code), 'S 7000H' (grade code), 'S 700H' (grade code) |
| 338,547 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6d9b7a19-3e72-… | associations resolved on the elementary layer |
| 394,233 | 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/20260820T0738569779880000/123 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v0 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v1 |
| ef:activity/change/20260820T0738569779880000/124 | name | ef:agent/bootstrap_labels | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v1 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v2 |
| ef:activity/change/20260820T0738569779880000/125 | synonyms | ef:agent/bootstrap_labels | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v2 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v3 |
| ef:activity/change/20260820T0738569779880000/115056 | context | ef:agent/default_context_mapping | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v3 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v4 |
| ef:activity/change/20260820T0738569779880000/115057 | context_iri | ef:agent/default_context_mapping | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v4 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v5 |
| ef:activity/change/20260820T0738569779880000/213379 | unit_iri | ef:agent/unit_normalization | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v5 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v6 |
| ef:activity/change/20260820T0738569779880000/221125 | prefLabel | ef:agent/normalize_name_case | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v6 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v7 |
| ef:activity/change/20260820T0738569779880000/227286 | properties | ef:agent/enrich_references | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v7 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v8 |
| ef:activity/change/20260820T0738569779880000/227287 | skos_definition | ef:agent/enrich_references | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v8 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v9 |
| ef:activity/change/20260820T0738569779880000/227288 | references | ef:agent/enrich_references | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v9 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v10 |
| ef:activity/change/20260820T0738569779880000/248345 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v10 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v11 |
| ef:activity/change/20260820T0738569779880000/268411 | altLabel | ef:agent/consensus_match | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v11 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v12 |
| ef:activity/change/20260820T0738569779880000/268412 | cas_match_labels | ef:agent/consensus_match | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v12 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v13 |
| ef:activity/change/20260820T0738569779880000/273488 | properties | ef:agent/opsin_iupac | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v13 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v14 |
| ef:activity/change/20260820T0738569779880000/279839 | properties | ef:agent/rdkit_post_consensus | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v14 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v15 |
| ef:activity/change/20260820T0738569779880000/286727 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v15 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v16 |
| ef:activity/change/20260820T0738569779880000/287292 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v16 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v17 |
| ef:activity/change/20260820T0738569779880000/338547 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v17 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v18 |
| ef:activity/change/20260820T0738569779880000/394233 | types | ef:agent/link_flows_to_their_substance | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v18 | ef:flow/6d9b7a19-3e72-483a-a857-552d7809c9fe/v19 |