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Thiodipropionic Acid

UUID 41420f90-a616-49c6-859e-6e90f6a3a849
Flow Object IDfo-80d5425e188f82ee
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 111-17-1
EC Numbers 203-841-3
prefLabel
Language Value Provenance
en Thiodipropionic Acid
altLabel ⓘ
Language Value Provenance
en 3-(2-carboxyethylsulanyl)propanoic acid
en UF7990000
en 3,3′-Thiobis[propanoic acid\]
en 3,3′-Thiodipropanoic acid
en 3,3′-Thiodipropionic acid
en 3-[(2-Carboxyethyl)sulfanyl]propanoic acid
en 4-Thiaheptanedioic acid
en Antioxidant 39620
en Bis(2-carboxyethyl) sulfide
en Diethyl sulfide 2,2′-dicarboxylic acid
en NSC 65523
en NSC 8166
en Propanoic acid, 3,3′-thiobis-
en Propionic acid, 3,3′-thiodi-
en TDPA
en Thiodihydracrylic acid
en Tyox A
en β,β′-Thiodipropionic acid
en 3,3'-sulfanediyldipropanoic Acid
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ODJQKYXPKWQWNK-UHFFFAOYSA-N
InChI InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
IUPAC name 3-(2-carboxyethylsulfanyl)propanoic acid, 3-(2-carboxyethylthio)propanoic acid, 3-(2-carboxyethylthio)propionic acid, 3-(3-hydroxy-3-oxopropylsulfanyl)propanoic acid
Molecular formula C6H10O4S
Molecular mass 178.209
Monoisotopic mass 178.02998
SMILES C(CSCCC(=O)O)C(=O)O, O=C(O)CCSCCC(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 41420f90-a616-49c6-859e-6e90f6a3a849 3,3'-sulfanediyldipropanoic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3,3'-sulfanediyldipropanoic acid Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=3,3'-sulfanediyldipropanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111-17-1; added Common Chemistry CAS names as altLabel: 3,3′-Thiobis[propanoic acid\], 3,3′-Thiodipropanoic acid, 3,3′-Thiodipropionic acid, 3-[(2-Carboxyethyl)sulfanyl]propanoic acid, 4-Thiaheptanedioic acid, Antioxidant 39620, Bis(2-carboxyethyl) sulfide, Diethyl sulfide 2,2′-dicarboxylic acid, NSC 65523, NSC 8166, Propanoic acid, 3,3′-thiobis-, Propionic acid, 3,3′-thiodi-, TDPA, Thiodihydracrylic acid, Thiodipropionic acid, Tyox A, β,β′-Thiodipropionic acid; object_uuid=fo-80d5425e188f82ee
cas_match_labels 1 — consensus_match group_key=3,3'-sulfanediyldipropanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-17-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-80d5425e188f82ee: {'111-17-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '3-(2-carboxyethylsulanyl)propanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-(2-carboxyethylsulanyl)propanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_165380', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'UF7990000', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:UF7990000', 'http://purl.obolibrary.org/obo/CHEBI_165380', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-(2-carboxyethylsulanyl)propanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-(2-carboxyethylsulanyl)propanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_165380', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'UF7990000', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:UF7990000', 'http://purl.obolibrary.org/obo/CHEBI_165380', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3′-Thiobis[propanoic acid\\]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Thiodipropanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3′-Thiodipropionic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-[(2-Carboxyethyl)sulfanyl]propanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Thiaheptanedioic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Antioxidant 39620', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(2-carboxyethyl) sulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl sulfide 2,2′-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 65523', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8166', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 3,3′-thiobis-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propionic acid, 3,3′-thiodi-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TDPA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thiodihydracrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thiodipropionic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tyox A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β,β′-Thiodipropionic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111-17-1', 'https://commonchemistry.cas.org/detail?cas_rn=111-17-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,3'-sulfanediyldipropanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111-17-1; added Common Chemistry CAS names as altLabel: 3,3′-Thiobis[propanoic acid\], 3,3′-Thiodipropanoic acid, 3,3′-Thiodipropionic acid, 3-[(2-Carboxyethyl)sulfanyl]propanoic acid, 4-Thiaheptanedioic acid, Antioxidant 39620, Bis(2-carboxyethyl) sulfide, Diethyl sulfide 2,2′-dicarboxylic acid, NSC 65523, NSC 8166, Propanoic acid, 3,3′-thiobis-, Propionic acid, 3,3′-thiodi-, TDPA, Thiodihydracrylic acid, Thiodipropionic acid, Tyox A, β,β′-Thiodipropionic acid; object_uuid=fo-80d5425e188f82ee
cas_match_labels None {'111-17-1': 'exactMatch'} group_key=3,3'-sulfanediyldipropanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-17-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-80d5425e188f82ee: {'111-17-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.7931e-11
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