2-hydroxyethanaminium Sulfanylacetate
efd200cd-9e3f-41fc-9f37-22a520d5ede3
Identity
- Substance
- fo-dfa9585234d8cd98 ChemicalSalt
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Unknown
- CAS
- 126-97-6
- EC
- 204-815-4
Context
- Dimension
- Environmental
- Geography
- Unknown
- Media
- Ground
Alternative labels
8- N-(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
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | efd200cd-9e3f-41fc-9f37-22a520d5ede3 | 2-hydroxyethanaminium sulfanylacetate | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | efd200cd-9e3f-41fc-9f37-22a520d5ede3 | 2-hydroxyethanaminium sulfanylacetate | Emissions/Emissions to soil/Emissions to soil, unspecified | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 259.65 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 259.65 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 259.65 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 259.65 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 3.4109e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 3.4109e-07 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 3.4109e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 3.4109e-07 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "N-(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"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H11NO3S"
],
"attested_by": {
"C4H11NO3S": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:160430",
"CID:57508504"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CS.[NH3+]CCO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XTJCJAPNPGGFED-UHFFFAOYSA-N"
],
"attested_by": {
"XTJCJAPNPGGFED-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:160430",
"CID:57508504"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CS.[NH3+]CCO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C([O-])CS.[NH3+]CCO"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-hydroxyethanaminium Sulfanylacetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CS.[NH3+]CCO"
]
}
],
"attested_by": {
"O=C([O-])CS.[NH3+]CCO": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C2H7NO.C2H4O2S/c3-1-2-4;3-2(4)1-5/h4H,1-3H2;5H,1H2,(H,3,4)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-hydroxyethanaminium Sulfanylacetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CS.[NH3+]CCO"
]
}
],
"attested_by": {
"InChI=1S/C2H7NO.C2H4O2S/c3-1-2-4;3-2(4)1-5/h4H,1-3H2;5H,1H2,(H,3,4)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-hydroxyethanaminium Sulfanylacetate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-hydroxyethanaminium Sulfanylacetate"
]
},
"attested_by": {
"2-hydroxyethanaminium Sulfanylacetate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
153.203
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(CO)N.C(C(=O)O)S"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CS.[NH3+]CCO"
]
}
],
"attested_by": {
"153.203": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
153.045964
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(CO)N.C(C(=O)O)S"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C([O-])CS.[NH3+]CCO"
]
}
],
"attested_by": {
"153.045964": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.004.379",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:160430;CAS:126-97-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-97-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=126-97-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:57508504;CAS:126-97-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-97-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=85169-27-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:160430;CAS:126-97-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-97-6]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7059569",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:160430;CAS:126-97-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-97-6]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/263SH5220T",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:160430;CAS:126-97-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-97-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/160430",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:160430;CAS:126-97-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[126-97-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57508504",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:57508504;CAS:126-97-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[126-97-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27254042",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:160430;CAS:126-97-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[126-97-6]"
}
}
],
"prefLabel": [
{
"@value": "2-hydroxyethanaminium Sulfanylacetate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "efd200cd-9e3f-41fc-9f37-22a520d5ede3",
"identifier": "efd200cd-9e3f-41fc-9f37-22a520d5ede3",
"source": "EF 3.1",
"cas_numbers": [
"126-97-6"
],
"ec_numbers": [
"204-815-4"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Unknown"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 259.65
},
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 3.4109e-7
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 3.4109e-7
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 259.65
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-dfa9585234d8cd98",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/efd200cd-9e3f-41fc-9f37-22a520d5ede3",
"skos:prefLabel": "2-hydroxyethanaminium sulfanylacetate",
"context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/efd200cd-9e3f-41fc-9f37-22a520d5ede3"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/efd200cd-9e3f-41fc-9f37-22a520d5ede3"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "normalise_property_values",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"126-97-6": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "2-hydroxyethanaminium sulfanylacetate",
"synonyms": [
"organic",
"(2-hydroxyethyl)ammoniummercaptoacetate",
"meatg83"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to soil, unspecified"
],
"cas_numbers": [
"126-97-6"
],
"ec_numbers": [
"204-815-4"
],
"unit": "kg"
}
}