Troythix 150acs Tech.
fo-22b5190d84fdb52b
Identity
- Type
- Neutral molecule
- CAS
- 55349-01-4
- EC
- 472-570-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | CXPIOTOKMJNFSA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C42H84N2O4/c1-3-5-7-23-31-39(45)33-25-17-13-9-11-15-19-27-35-41(47)43-37-29-21-22-30-38-44-42(48)36-28-20-16-12-10-14-18-26-34-40(46)32-24-8-6-4-2/h39-40,45-46H,3-38H2,1-2H3,(H,43,47)(H,44,48) |
| IUPAC name chemrof:IUPAC_name | N,N′-1,6-Hexanediylbis[12-hydroxyoctadecanamide] |
| Molecular formula chemrof:molecular_formula | C42H84N2O4 |
| Molecular mass chemrof:molecular_mass | 681.144 |
| Monoisotopic mass chemrof:monoisotopic_mass | 680.643109 |
| SMILES string chemrof:smiles_string | CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC |
Known URLs
1Where 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=55349-01-4 | enrich_references.consensus_cas_link |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 17f22673-aa97-4b17-ab56-9a505b0f968c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e18f3003-a00c-462e-8989-977c9a1e33f7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 1bcc3e42-e3d6-4d9a-b938-4770760ee6ad | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 74521b87-430b-43c0-8d70-f22f4640ea30 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 45cd9a98-b74c-47e4-993c-61cb11156716 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| a5ba9414-4084-48de-9a36-7ae8e18d39e1 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 048b94dc-df14-4773-8891-ee5b528ab2b8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 67df8ac0-2cfe-4ff3-8e7d-04e28e7bcf2c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 84733951-6a02-49e8-a64a-99277d945739 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| de15ffd7-8bef-4577-acc0-486da5c3a2dc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 51e6a1c3-642c-4525-aa1c-a959c9905cb9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 6367cc83-d0f9-460c-921a-db6ac13751ba | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| ae1b1d98-5301-42fe-ad4b-fb7dd44af031 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-22b5190d84fdb52b",
"prefLabel": [
{
"@value": "Troythix 150acs Tech.",
"@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": [],
"properties": {
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N,N′-1,6-Hexanediylbis[12-hydroxyoctadecanamide]"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N,N′-1,6-Hexanediylbis[12-hydroxyoctadecanamide]"
]
},
"attested_by": {
"N,N′-1,6-Hexanediylbis[12-hydroxyoctadecanamide]": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N,N′-1,6-Hexanediylbis[12-hydroxyoctadecanamide]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC"
]
}
],
"attested_by": {
"CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C42H84N2O4/c1-3-5-7-23-31-39(45)33-25-17-13-9-11-15-19-27-35-41(47)43-37-29-21-22-30-38-44-42(48)36-28-20-16-12-10-14-18-26-34-40(46)32-24-8-6-4-2/h39-40,45-46H,3-38H2,1-2H3,(H,43,47)(H,44,48)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N,N′-1,6-Hexanediylbis[12-hydroxyoctadecanamide]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC"
]
}
],
"attested_by": {
"InChI=1S/C42H84N2O4/c1-3-5-7-23-31-39(45)33-25-17-13-9-11-15-19-27-35-41(47)43-37-29-21-22-30-38-44-42(48)36-28-20-16-12-10-14-18-26-34-40(46)32-24-8-6-4-2/h39-40,45-46H,3-38H2,1-2H3,(H,43,47)(H,44,48)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"rdfs:label": "InChIKey",
"@value": [
"CXPIOTOKMJNFSA-UHFFFAOYSA-N"
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC"
]
},
"attested_by": {
"CXPIOTOKMJNFSA-UHFFFAOYSA-N": [
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"rdfs:label": "Molecular formula",
"@value": [
"C42H84N2O4"
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC"
]
},
"attested_by": {
"C42H84N2O4": [
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
681.144
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC"
]
},
"attested_by": {
"681.144": [
"rdkit_post_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": [
680.643109
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC"
]
},
"attested_by": {
"680.643109": [
"rdkit_post_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=55349-01-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"55349-01-4"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "048b94dc-df14-4773-8891-ee5b528ab2b8",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"55349-01-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=55349-01-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=55349-01-4"
}
],
"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": [
"472-570-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=472-570-2"
],
"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/NeutralMolecule"
]
}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