Malonaldehyde, Sodium Salt
fo-a5719248623bcdab
Identity
- Type
- Chemical salt
- CAS
- 24382-04-5
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
11- (E)-3-Hydroxyacrolein sodium salt
- 2-Propenal, 3-hydroxy-, sodium salt (1:1)
- 2-Propenal, 3-hydroxy-, sodium salt, (2E)-
- 2-Propenal, 3-hydroxy-, sodium salt, (E)-
- Malonaldehyde sodium salt
- Malonaldehyde, ion(1-), sodium
- Malonaldehyde, sodium deriv.
- Propanedial sodium
- Propanedial, ion(1-), sodium
- Sodium malondialdehyde
- Sodium β-oxyacrolein
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | VJHFGYJILVGPCS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H3O2.Na/c4-2-1-3-5;/h1-3H;/q-1;+1 |
| IUPAC name chemrof:IUPAC_name | sodium malonaldehyde, sodium propanedial |
| Molecular formula chemrof:molecular_formula | C3H3NaO2 |
| Molecular mass chemrof:molecular_mass | 94.045 |
| Monoisotopic mass chemrof:monoisotopic_mass | 94.003074 |
| SMILES string chemrof:smiles_string | [CH-](C=O)C=O.[Na+] |
Known URLs
6Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=24382-04-5 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60924091 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZRM642YYUE | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.587.814B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23712862 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27295862 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 38450254-aac3-4bcc-8a41-218db417fc3f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c5f33080-5b7a-4d13-8fef-a287187ff716 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 854e3aab-b957-4b9a-9c2d-782c6bc9fc88 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| bf2d7735-376b-4d60-9acb-3a5130960059 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| eeceaebe-786d-41a4-b5e8-d2e732f4a94c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| c028a490-85a4-4f80-8df4-4cd58f996471 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 56101c45-ef7a-4707-bd56-2730c02e16c7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 606d4046-f53d-4b92-a2d2-54c3bc40da6e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 66fcf3f4-ac95-48ec-b51a-b5cfa3a9e5b3 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 772fcb8e-2a39-40cb-9c8e-4c2af25fcfbe | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 84e4533b-390b-4828-bcd7-d8281a908999 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3cccbffb-ccdd-489f-919c-abaa65860bde | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 2f415873-aae9-4f91-8817-707e942c1b30 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-a5719248623bcdab",
"prefLabel": [
{
"@value": "Malonaldehyde, Sodium Salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "(E)-3-Hydroxyacrolein sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenal, 3-hydroxy-, sodium salt (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenal, 3-hydroxy-, sodium salt, (2E)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenal, 3-hydroxy-, sodium salt, (E)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Malonaldehyde sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Malonaldehyde, ion(1-), sodium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Malonaldehyde, sodium deriv.",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propanedial sodium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propanedial, ion(1-), sodium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium malondialdehyde",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium β-oxyacrolein",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:24382-04-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C3H3NaO2"
],
"attested_by": {
"C3H3NaO2": [
"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:23712862"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[CH-](C=O)C=O.[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"VJHFGYJILVGPCS-UHFFFAOYSA-N"
],
"attested_by": {
"VJHFGYJILVGPCS-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:23712862"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[CH-](C=O)C=O.[Na+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"[CH-](C=O)C=O.[Na+]"
],
"attested_by": {
"[CH-](C=O)C=O.[Na+]": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[CH-](C=O)C=O.[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C3H3O2.Na/c4-2-1-3-5;/h1-3H;/q-1;+1"
],
"attested_by": {
"InChI=1S/C3H3O2.Na/c4-2-1-3-5;/h1-3H;/q-1;+1": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[CH-](C=O)C=O.[Na+]"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"sodium malonaldehyde",
"sodium propanedial"
],
"attested_by": {
"sodium malonaldehyde": [
"enrich_references.pubchem_semantic"
],
"sodium propanedial": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
94.045
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[CH-](C=O)C=O.[Na+]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[CH-](C=O)C=O.[Na+]"
]
}
],
"attested_by": {
"94.045": [
"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": [
94.003074
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[CH-](C=O)C=O.[Na+]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[CH-](C=O)C=O.[Na+]"
]
}
],
"attested_by": {
"94.003074": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.587.814B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862;CAS:24382-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862;CAS:24382-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60924091",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862;CAS:24382-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZRM642YYUE",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862;CAS:24382-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23712862",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862;CAS:24382-04-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[24382-04-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27295862",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23712862;CAS:24382-04-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[24382-04-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "2f415873-aae9-4f91-8817-707e942c1b30",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"24382-04-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=24382-04-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works