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Glyceryl monothioglycolate

UUID 3c665cc2-009e-4c8b-b1e4-31c1ae9ff859
Flow Object IDfo-b5c62d0d72b773f5
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 30618-84-9
EC Numbers 250-264-8
prefLabel ⓘ
Language Value Provenance
en Glyceryl monothioglycolate
altLabel ⓘ
Language Value Provenance
en 2,3-dihydroxypropyl sulfanylacetate
en Glycerol monomercaptoacetate
en Glyceryl thioglycolate
en Mercaptoacetic acid, monoester with 1,2,3-propanetriol
en Acetic acid, 2-mercapto-, monoester with 1,2,3-propanetriol
en Acetic acid, mercapto-, ester with glycerol
en Acetic acid, mercapto-, monoester with 1,2,3-propanetriol
en Acetic acid, mercapto-, monoester with glycerol
en Glycerin monothioglycolate
Definitions
Language Value Provenance
en A thioglycolate ester resulting from esterification of thioglycolic acid with glycerol. As a component of developer solutions in permanent wave products, it is the second most frequent allergen in hairdressers and avoidance of acid permanent waves is mandatory.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey DOGJSOZYUGJVKS-UHFFFAOYSA-N
InChI InChI=1S/C5H10O4S/c6-1-4(7)2-9-5(8)3-10/h4,6-7,10H,1-3H2
IUPAC name 2,3-bis(oxidanyl)propyl 2-sulfanylethanoate, 2,3-dihydroxypropyl 2-sulfanylacetate, 2-mercaptoacetic acid 2,3-dihydroxypropyl ester, 2-mercaptoacetic acid glyceryl ester
Molecular formula C5H10O4S
Molecular mass 166.198
Monoisotopic mass 166.02998
SMILES C(C(COC(=O)CS)O)O, O=C(CS)OCC(O)CO

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 3c665cc2-009e-4c8b-b1e4-31c1ae9ff859 2,3-dihydroxypropyl 2-sulfanylacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,3-dihydroxypropyl 2-sulfanylacetate Emissions/Emissions to air/Emissions to non-urban air or from high stacks kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=2,3-dihydroxypropyl2-sulfanylacetate||dimension=Environmental > media=Air > strata=Unknown; cas=30618-84-9; added Common Chemistry CAS names as altLabel: Acetic acid, 2-mercapto-, monoester with 1,2,3-propanetriol, Acetic acid, mercapto-, ester with glycerol, Acetic acid, mercapto-, monoester with 1,2,3-propanetriol, Acetic acid, mercapto-, monoester with glycerol, Glycerin monothioglycolate; object_uuid=fo-b5c62d0d72b773f5
cas_match_labels 1 — consensus_match group_key=2,3-dihydroxypropyl2-sulfanylacetate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'30618-84-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b5c62d0d72b773f5: {'30618-84-9': 'exactMatch'}
prefLabel 1 — consensus_match cas=30618-84-9; cc_chebi_agreed_name='Glyceryl monothioglycolate'; object_uuid=fo-b5c62d0d72b773f5

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '2,3-dihydroxypropyl 2-sulfanylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Glyceryl monothioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30618-84-9'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=30618-84-9; cc_chebi_agreed_name='Glyceryl monothioglycolate'; object_uuid=fo-b5c62d0d72b773f5
altLabel [{'@value': '2,3-dihydroxypropyl sulfanylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,3-dihydroxypropyl sulfanylacetate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glycerol monomercaptoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glycerol monomercaptoacetate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glyceryl thioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glyceryl thioglycolate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Mercaptoacetic acid, monoester with 1,2,3-propanetriol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Mercaptoacetic acid, monoester with 1,2,3-propanetriol', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2,3-dihydroxypropyl sulfanylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,3-dihydroxypropyl sulfanylacetate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glycerol monomercaptoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glycerol monomercaptoacetate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glyceryl thioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glyceryl thioglycolate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Mercaptoacetic acid, monoester with 1,2,3-propanetriol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Mercaptoacetic acid, monoester with 1,2,3-propanetriol', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,3-dihydroxypropyl 2-sulfanylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=30618-84-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-b5c62d0d72b773f5
altLabel [{'@value': '2,3-dihydroxypropyl sulfanylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,3-dihydroxypropyl sulfanylacetate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glycerol monomercaptoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glycerol monomercaptoacetate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glyceryl thioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glyceryl thioglycolate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Mercaptoacetic acid, monoester with 1,2,3-propanetriol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Mercaptoacetic acid, monoester with 1,2,3-propanetriol', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,3-dihydroxypropyl 2-sulfanylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '2,3-dihydroxypropyl sulfanylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,3-dihydroxypropyl sulfanylacetate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glycerol monomercaptoacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glycerol monomercaptoacetate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glyceryl thioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Glyceryl thioglycolate', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Mercaptoacetic acid, monoester with 1,2,3-propanetriol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Mercaptoacetic acid, monoester with 1,2,3-propanetriol', 'http://purl.obolibrary.org/obo/CHEBI_156545', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetic acid, 2-mercapto-, monoester with 1,2,3-propanetriol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30618-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=30618-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, mercapto-, ester with glycerol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30618-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=30618-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, mercapto-, monoester with 1,2,3-propanetriol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30618-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=30618-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, mercapto-, monoester with glycerol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30618-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=30618-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycerin monothioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:30618-84-9', 'https://commonchemistry.cas.org/detail?cas_rn=30618-84-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,3-dihydroxypropyl2-sulfanylacetate||dimension=Environmental > media=Air > strata=Unknown; cas=30618-84-9; added Common Chemistry CAS names as altLabel: Acetic acid, 2-mercapto-, monoester with 1,2,3-propanetriol, Acetic acid, mercapto-, ester with glycerol, Acetic acid, mercapto-, monoester with 1,2,3-propanetriol, Acetic acid, mercapto-, monoester with glycerol, Glycerin monothioglycolate; object_uuid=fo-b5c62d0d72b773f5
cas_match_labels None {'30618-84-9': 'exactMatch'} group_key=2,3-dihydroxypropyl2-sulfanylacetate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'30618-84-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b5c62d0d72b773f5: {'30618-84-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "characterization_factor": 3.2137e-7
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