Sodium N-methyl-n-(1-oxo-9-octadecenyl)aminoacetate
fo-6c45855c59231f25
Identity
- Type
- Chemical salt
- CAS
- 3624-77-9
- EC
- 222-829-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
2- Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)
- Glycine, N-methyl-N-(1-oxo-9-octadecenyl)-, sodium salt
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | SUJUHRXNRHCJTP-UHFFFAOYSA-N, VLKIFCBXANYYCK-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H39NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1 |
| IUPAC name chemrof:IUPAC_name | Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1) |
| Molecular formula chemrof:molecular_formula | C21H38NNaO3, C21H39NNaO3 |
| SMILES string chemrof:smiles_string | CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+] |
Known URLs
2Where 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=3624-77-9 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/131878468 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c426e0be-9d02-400b-9150-ee839cbef61f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 0b9401d9-4bda-4f1f-bb95-6abb9d4eb37f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 427ad519-e800-4c74-be11-717cea27cce7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d84f7045-42ab-4734-bf00-e65a72b20ec2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9c87cb72-2e88-4ecc-8dd8-c189d71e3dc4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f531df3e-e4d1-44a0-856a-a2bd29997417 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4e9543cb-228d-4157-b3a9-204adbfe8b7f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 8c279311-8990-4a19-909c-b20df52b7501 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 842e5154-59cc-47dd-acd2-831e54c35271 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| bff059d0-94ea-4b1f-b685-11c144b6248a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 987794ab-28ae-4c42-87da-d56030163e30 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e7f648ea-b94b-4af6-bd3b-6ba35dd3480d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 94338624-f585-4603-9d65-6f10493aafb5 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-6c45855c59231f25",
"prefLabel": [
{
"@value": "Sodium N-methyl-n-(1-oxo-9-octadecenyl)aminoacetate",
"@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": "Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3624-77-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3624-77-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycine, N-methyl-N-(1-oxo-9-octadecenyl)-, sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3624-77-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3624-77-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C21H38NNaO3",
"C21H39NNaO3"
],
"attested_by": {
"C21H39NNaO3": [
"enrich_references.pubchem_semantic"
],
"C21H38NNaO3": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131878468"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"SUJUHRXNRHCJTP-UHFFFAOYSA-N",
"VLKIFCBXANYYCK-UHFFFAOYSA-M"
],
"attested_by": {
"SUJUHRXNRHCJTP-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"VLKIFCBXANYYCK-UHFFFAOYSA-M": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131878468"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]"
]
}
],
"attested_by": {
"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C21H39NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]"
]
}
],
"attested_by": {
"InChI=1S/C21H39NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)"
]
},
"attested_by": {
"Glycine, N-methyl-N-(1-oxo-9-octadecen-1-yl)-, sodium salt (1:1)": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3624-77-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131878468;CAS:3624-77-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3624-77-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/131878468",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131878468;CAS:3624-77-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3624-77-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0b9401d9-4bda-4f1f-bb95-6abb9d4eb37f",
"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": [
"3624-77-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=3624-77-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3624-77-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"222-829-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=222-829-9"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_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