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Sodium 2-(methylamino)ethanesulfonate

UUID eee4bdd2-8456-4f82-b3e3-448d58712cbd
Flow Object IDfo-4cbcaf848aa08943
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 4316-74-9
EC Numbers 224-339-0
prefLabel
Language Value Provenance
en Sodium 2-(methylamino)ethanesulfonate
altLabel ⓘ
Language Value Provenance
en 2-(Methylamino)ethanesulfonic acid sodium salt
en <em>N</em>-Methyltaurate sodium salt
en <em>N</em>-Methyltaurine monosodium salt
en <em>N</em>-Methyltaurine sodium salt
en Ethanesulfonic acid, 2-(methylamino)-, monosodium salt
en Ethanesulfonic acid, 2-(methylamino)-, sodium salt (1:1)
en Methyltaurine sodium salt
en Sodium (methylamino)ethanesulfonate
en Sodium 2-(<em>N</em>-methylamino)ethanesulfonate
en Sodium <em>N</em>-methylaminoethanesulfonate
en Sodium <em>N</em>-methyltaurate
en Sodium <em>N</em>-methyltaurinate
en Sodium <em>N</em>-methyltaurine
en Sodium methyltaurate
en Sodium methyltaurine
en Taurine, <em>N</em>-methyl-, monosodium salt
en Taurine, <em>N</em>-methyl-, sodium salt
References
Shared Properties
Predicate Value
InChIKey KKDONKAYVYTWGY-UHFFFAOYSA-M, OPQRAUOKDIZRRO-UHFFFAOYSA-N, SUZRRICLUFMAQD-UHFFFAOYSA-N, XGPRSRGBAHBMAF-NQWCLMGHSA-N, ZDSCFBCGDDCJFZ-UHFFFAOYSA-N
InChI InChI=1S/C32H48O8/c1-7-9-11-13-24(34)39-28-20(4)31(38)22(16-21(18-33)17-30(37)23(31)15-19(3)27(30)36)26-29(5,6)32(26,28)40-25(35)14-12-10-8-2/h15-16,20,22-23,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,22+,23-,26-,28-,30-,31-,32-/m1/s1, InChI=1S/C3H9NO3S.Na.H2/c1-4-2-3-8(5,6)7;;/h4H,2-3H2,1H3,(H,5,6,7);;1H, InChI=1S/C3H9NO3S.Na/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);, InChI=1S/C3H9NO3S.Na/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);/q;+1/p-1, InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
IUPAC name 2-(methylammonio)ethanesulfonate, 2-(methylazaniumyl)ethanesulfonate, [(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate, [(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-1,6-bis(oxidanyl)-5-oxidanylidene-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate, hexanoic acid [(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-(1-oxohexoxy)-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] ester, hexanoic acid [(1S,2S,6R,10S,11R,13S,14R,15R)-13-caproyloxy-1,6-dihydroxy-5-keto-4,12,12,15-tetramethyl-8-methylol-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] ester, sodium 2-(methylamino)ethanesulfonate
Molecular formula C32H48O8, C3H11NNaO3S, C3H8NNaO3S, C3H9NNaO3S, C3H9NO3S
SMILES CCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCCCC)O)C, CCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCCCC)O)C, CNCCS(=O)(=O)O.[Na], CNCCS(=O)(=O)[O-].[Na+], C[NH2+]CCS(=O)(=O)[O-], [HH].CNCCS(=O)(=O)O.[Na]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 eee4bdd2-8456-4f82-b3e3-448d58712cbd sodium 2-(methylamino)ethanesulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium 2-(methylamino)ethanesulfonate Emissions/Emissions to water/Emissions to water, unspecified 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=sodium2-(methylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=4316-74-9; added Common Chemistry CAS names as altLabel: 2-(Methylamino)ethanesulfonic acid sodium salt, <em>N</em>-Methyltaurate sodium salt, <em>N</em>-Methyltaurine monosodium salt, <em>N</em>-Methyltaurine sodium salt, Ethanesulfonic acid, 2-(methylamino)-, monosodium salt, Ethanesulfonic acid, 2-(methylamino)-, sodium salt (1:1), Methyltaurine sodium salt, Sodium (methylamino)ethanesulfonate, Sodium 2-(<em>N</em>-methylamino)ethanesulfonate, Sodium <em>N</em>-methylaminoethanesulfonate, Sodium <em>N</em>-methyltaurate, Sodium <em>N</em>-methyltaurinate, Sodium <em>N</em>-methyltaurine, Sodium methyltaurate, Sodium methyltaurine, Taurine, <em>N</em>-methyl-, monosodium salt, Taurine, <em>N</em>-methyl-, sodium salt; object_uuid=fo-4cbcaf848aa08943
cas_match_labels 1 — consensus_match group_key=sodium2-(methylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'4316-74-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbcaf848aa08943: {'4316-74-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-(Methylamino)ethanesulfonic acid sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Methyltaurate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Methyltaurine monosodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Methyltaurine sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanesulfonic acid, 2-(methylamino)-, monosodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanesulfonic acid, 2-(methylamino)-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyltaurine sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium (methylamino)ethanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 2-(<em>N</em>-methylamino)ethanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>N</em>-methylaminoethanesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>N</em>-methyltaurate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>N</em>-methyltaurinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>N</em>-methyltaurine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium methyltaurate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium methyltaurine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Taurine, <em>N</em>-methyl-, monosodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Taurine, <em>N</em>-methyl-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4316-74-9', 'https://commonchemistry.cas.org/detail?cas_rn=4316-74-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodium2-(methylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=4316-74-9; added Common Chemistry CAS names as altLabel: 2-(Methylamino)ethanesulfonic acid sodium salt, <em>N</em>-Methyltaurate sodium salt, <em>N</em>-Methyltaurine monosodium salt, <em>N</em>-Methyltaurine sodium salt, Ethanesulfonic acid, 2-(methylamino)-, monosodium salt, Ethanesulfonic acid, 2-(methylamino)-, sodium salt (1:1), Methyltaurine sodium salt, Sodium (methylamino)ethanesulfonate, Sodium 2-(<em>N</em>-methylamino)ethanesulfonate, Sodium <em>N</em>-methylaminoethanesulfonate, Sodium <em>N</em>-methyltaurate, Sodium <em>N</em>-methyltaurinate, Sodium <em>N</em>-methyltaurine, Sodium methyltaurate, Sodium methyltaurine, Taurine, <em>N</em>-methyl-, monosodium salt, Taurine, <em>N</em>-methyl-, sodium salt; object_uuid=fo-4cbcaf848aa08943
cas_match_labels None {'4316-74-9': 'exactMatch'} group_key=sodium2-(methylamino)ethanesulfonate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'4316-74-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4cbcaf848aa08943: {'4316-74-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Unknown"
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  "unit": "kg",
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        "CCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCCCC)O)C",
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      "@value": [
        "2-(methylammonio)ethanesulfonate",
        "2-(methylazaniumyl)ethanesulfonate",
        "[(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate",
        "[(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-1,6-bis(oxidanyl)-5-oxidanylidene-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate",
        "hexanoic acid [(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-(1-oxohexoxy)-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] ester",
        "hexanoic acid [(1S,2S,6R,10S,11R,13S,14R,15R)-13-caproyloxy-1,6-dihydroxy-5-keto-4,12,12,15-tetramethyl-8-methylol-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] ester",
        "sodium 2-(methylamino)ethanesulfonate"
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