2-hydroxyethanaminium Sulfanylacetate

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2-hydroxyethanaminium Sulfanylacetate

UUID 1412cdf7-40c0-4594-b480-16a37d6ba5e2

Flow Object ID fo-dfa9585234d8cd98

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 126-97-6

EC Numbers 204-815-4

prefLabel

Language	Value	Provenance
`en`	`2-hydroxyethanaminium Sulfanylacetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>N</em>-(2-Hydroxyethyl)ammonium thioglycolate`
`en`	`Acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1)`
`en`	`Acetic acid, mercapto-, compd. with 2-aminoethanol`
`en`	`Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1)`
`en`	`Ethanol, 2-amino-, mercaptoacetate (salt)`
`en`	`Ethanolamine thioglycolate`
`en`	`Monoethanolamine thioglycolate`
`en`	`Thioglycolic acid monoethanolamine salt`

References

Shared Properties

Predicate	Value
InChIKey	`AAGRMYDAQDGEKF-UHFFFAOYSA-N, CHBXJILUWUHDER-UHFFFAOYSA-N, RZQVEPSHNTZKSJ-IQVWLFHZSA-N, XTJCJAPNPGGFED-UHFFFAOYSA-N`
InChI	`InChI=1S/C17H19N5O9S/c1-7(23)19-14-10(24)5-12(17(27)28)31-16(14)15(26)11(25)6-32-13-3-2-8(20-21-18)4-9(13)22(29)30/h2-5,10-11,14-16,24-26H,6H2,1H3,(H,19,23)(H,27,28)/t10-,11+,14+,15+,16+/m0/s1, InChI=1S/C2H7NO.C2H4O2S/c3-1-2-4;3-2(4)1-5/h4H,1-3H2;5H,1H2,(H,3,4), InChI=1S/C4H9NO2S/c5-1-2-7-4(6)3-8/h8H,1-3,5H2, InChI=1S/C4H9NO3S/c5-9-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)`
IUPAC name	(2R,3R,4S)-3-acetamido-2-[(1R,2S)-3-(4-azido-2-nitro-phenyl)sulfanyl-1,2-bis(oxidanyl)propyl]-4-oxidanyl-3,4-dihydro-2H-pyran-6-carboxylic acid, (2R,3R,4S)-3-acetamido-2-[(1R,2S)-3-(4-azido-2-nitro-phenyl)sulfanyl-1,2-dihydroxy-propyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid, (2R,3R,4S)-3-acetamido-2-[(1R,2S)-3-(4-azido-2-nitrophenyl)sulfanyl-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid, (2R,3R,4S)-3-acetamido-2-[(1R,2S)-3-[(4-azido-2-nitro-phenyl)thio]-1,2-dihydroxy-propyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid, (2R,3R,4S)-3-acetamido-2-[(1R,2S)-3-[(4-azido-2-nitrophenyl)thio]-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid, 2-(ammoniothio)-4-hydroxy-butyrate, 2-(ammoniothio)-4-hydroxybutanoate, 2-aminoethanol;2-mercaptoacetic acid, 2-aminoethanol;2-sulfanylacetic acid, 2-aminoethyl 2-sulfanylacetate, 2-azaniumylsulfanyl-4-hydroxy-butanoate, 2-azaniumylsulfanyl-4-hydroxybutanoate, 2-azaniumylsulfanyl-4-oxidanyl-butanoate, 2-azanylethanol;2-sulfanylethanoic acid, 2-azanylethyl 2-sulfanylethanoate, 2-hydroxyethylammonium;2-mercaptoacetate, 2-hydroxyethylammonium;2-sulfanylacetate, 2-hydroxyethylazanium;2-sulfanylacetate, 2-hydroxyethylazanium;2-sulfanylethanoate, 2-mercaptoacetic acid 2-aminoethyl ester
Molecular formula	`C17H19N5O9S, C4H11NO3S, C4H9NO2S, C4H9NO3S`
SMILES	`C(CO)C(C(=O)[O-])S[NH3+], C(CO)N.C(C(=O)O)S, C(CO)[NH3+].C(C(=O)[O-])S, C(COC(=O)CS)N, CC(=O)NC1C(C=C(OC1C(C(CSC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])O)O)C(=O)O)O, CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CSC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])O)O)C(=O)O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`1412cdf7-40c0-4594-b480-16a37d6ba5e2`	2-hydroxyethanaminium sulfanylacetate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-hydroxyethanaminium sulfanylacetate	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=2-hydroxyethanaminiumsulfanylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=126-97-6; added Common Chemistry CAS names as altLabel: <em>N</em>-(2-Hydroxyethyl)ammonium thioglycolate, Acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1), Acetic acid, mercapto-, compd. with 2-aminoethanol, Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1), Ethanol, 2-amino-, mercaptoacetate (salt), Ethanolamine thioglycolate, Monoethanolamine thioglycolate, Thioglycolic acid monoethanolamine salt; object_uuid=fo-dfa9585234d8cd98
`cas_match_labels`	1	`—`	consensus_match	group_key=2-hydroxyethanaminiumsulfanylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'126-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dfa9585234d8cd98: {'126-97-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>N</em>-(2-Hydroxyethyl)ammonium thioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-97-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-97-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-97-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-97-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, mercapto-, compd. with 2-aminoethanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-97-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-97-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-97-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-97-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanol, 2-amino-, mercaptoacetate (salt)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-97-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-97-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanolamine thioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-97-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-97-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monoethanolamine thioglycolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-97-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-97-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thioglycolic acid monoethanolamine salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-97-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-97-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-hydroxyethanaminiumsulfanylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=126-97-6; added Common Chemistry CAS names as altLabel: <em>N</em>-(2-Hydroxyethyl)ammonium thioglycolate, Acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1), Acetic acid, mercapto-, compd. with 2-aminoethanol, Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1), Ethanol, 2-amino-, mercaptoacetate (salt), Ethanolamine thioglycolate, Monoethanolamine thioglycolate, Thioglycolic acid monoethanolamine salt; object_uuid=fo-dfa9585234d8cd98
`cas_match_labels`	`None`	`{'126-97-6': 'exactMatch'}`	group_key=2-hydroxyethanaminiumsulfanylacetate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'126-97-6': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dfa9585234d8cd98: {'126-97-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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