Trp-P-2 Acetate
3084e5dd-6e5c-4d97-b1e2-8d13fb154fcd
Identity
- Substance
- fo-5c78105c21696f2a Molecular complex
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Indoor
- CAS
- 72254-58-1
- EC
- —
Context
- Dimension
- Environmental
- Indoor
- Unknown
- Media
- Air
Alternative labels
5- 1-Methyl-2H-pyrido[4,3-b]indol-3(5H)-imine acetate
- 3-Amino-1-methyl-5H-pyrido[4,3-b]indole acetate
- 3-Amino-1-methyl-5H-pyrido[4,3-b]indole acetic acid salt
- 5H-Pyrido[4,3-b]indol-3-amine, 1-methyl-, acetate (1:1)
- 5H-Pyrido[4,3-b]indol-3-amine, 1-methyl-, monoacetate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 3084e5dd-6e5c-4d97-b1e2-8d13fb154fcd | trp-p-2 acetate | 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 | 3084e5dd-6e5c-4d97-b1e2-8d13fb154fcd | trp-p-2 acetate | Emissions/Emissions to air/Emissions to air, indoor | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
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 | Human toxicity, cancer | — | 3.7844e-04 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, cancer | — | 3.7844e-04 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, cancer_organics | — | 3.7844e-04 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, cancer_organics | — | 3.7844e-04 | 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": "1-Methyl-2H-pyrido[4,3-b]indol-3(5H)-imine acetate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:72254-58-1",
"https://commonchemistry.cas.org/detail?cas_rn=72254-58-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Amino-1-methyl-5H-pyrido[4,3-b]indole acetate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:72254-58-1",
"https://commonchemistry.cas.org/detail?cas_rn=72254-58-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Amino-1-methyl-5H-pyrido[4,3-b]indole acetic acid salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:72254-58-1",
"https://commonchemistry.cas.org/detail?cas_rn=72254-58-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5H-Pyrido[4,3-b]indol-3-amine, 1-methyl-, acetate (1:1)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:72254-58-1",
"https://commonchemistry.cas.org/detail?cas_rn=72254-58-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5H-Pyrido[4,3-b]indol-3-amine, 1-methyl-, monoacetate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:72254-58-1",
"https://commonchemistry.cas.org/detail?cas_rn=72254-58-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H15N3O2"
],
"attested_by": {
"C14H15N3O2": [
"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:5284475"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)O.Cc1[nH]c(=N)cc2[nH]c3ccccc3c12"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"AASZBFHIHXZWRI-UHFFFAOYSA-N"
],
"attested_by": {
"AASZBFHIHXZWRI-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:5284475"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)O.Cc1[nH]c(=N)cc2[nH]c3ccccc3c12"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(=O)O.Cc1[nH]c(=N)cc2[nH]c3ccccc3c12"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-Methyl-2H-pyrido[4,3-b]indol-3(5H)-imine acetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)O.Cc1[nH]c(=N)cc2[nH]c3ccccc3c12"
]
}
],
"attested_by": {
"CC(=O)O.Cc1[nH]c(=N)cc2[nH]c3ccccc3c12": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H11N3.C2H4O2/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7;1-2(3)4/h2-6,15H,1H3,(H2,13,14);1H3,(H,3,4)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-Methyl-2H-pyrido[4,3-b]indol-3(5H)-imine acetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)O.Cc1[nH]c(=N)cc2[nH]c3ccccc3c12"
]
}
],
"attested_by": {
"InChI=1S/C12H11N3.C2H4O2/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7;1-2(3)4/h2-6,15H,1H3,(H2,13,14);1H3,(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": [
"1-Methyl-2H-pyrido[4,3-b]indol-3(5H)-imine acetate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-Methyl-2H-pyrido[4,3-b]indol-3(5H)-imine acetate"
]
},
"attested_by": {
"1-Methyl-2H-pyrido[4,3-b]indol-3(5H)-imine acetate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
257.293
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)O.Cc1[nH]c(=N)cc2[nH]c3ccccc3c12"
]
}
],
"attested_by": {
"257.293": [
"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": [
257.116427
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)O.Cc1[nH]c(=N)cc2[nH]c3ccccc3c12"
]
}
],
"attested_by": {
"257.116427": [
"rdkit_post_consensus",
"rdkit_pre_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=72254-58-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5284475;CAS:72254-58-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[72254-58-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=75074-77-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5284475;CAS:72254-58-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[72254-58-1]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5021417",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5284475;CAS:72254-58-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[72254-58-1]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8KU5U86LAU",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5284475;CAS:72254-58-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[72254-58-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/5284475",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5284475;CAS:72254-58-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[72254-58-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81983753",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:5284475;CAS:72254-58-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[72254-58-1]"
}
}
],
"@type": [
"https://w3id.org/chemrof/MolecularComplex"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "3084e5dd-6e5c-4d97-b1e2-8d13fb154fcd",
"identifier": "3084e5dd-6e5c-4d97-b1e2-8d13fb154fcd",
"source": "EF 3.1",
"cas_numbers": [
"72254-58-1"
],
"ec_numbers": [],
"context": {
"dimension": "Environmental",
"media": "Air",
"indoor": "Unknown"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
"name": "Human toxicity, cancer",
"methodology": "Environmental Footprint",
"impact_category": "Cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
"characterization_factor": 0.00037844
},
{
"method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
"name": "Human toxicity, cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
"characterization_factor": 0.00037844
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"prefLabel": [
{
"@value": "Trp-P-2 Acetate",
"@language": "en",
"@lang": "en",
"source": {
"prov:wasGeneratedBy": "substance_label_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "flow_object.prefLabel (fo-5c78105c21696f2a)"
}
}
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-5c78105c21696f2a",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/3084e5dd-6e5c-4d97-b1e2-8d13fb154fcd",
"skos:prefLabel": "trp-p-2 acetate",
"context": "Emissions/Emissions to air/Emissions to air, indoor",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/3084e5dd-6e5c-4d97-b1e2-8d13fb154fcd"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/3084e5dd-6e5c-4d97-b1e2-8d13fb154fcd"
},
"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": "substance_label_v1",
"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": {
"72254-58-1": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "trp-p-2 acetate",
"synonyms": [
"1-methyl-5H-pyrido[4,3-b]indol-3-amine",
"1-methyl-5H-pyrido[4,3-b]indol-3-amine acetate",
"3-AMINO-1-METHYL-5H-PYRIDO[4,3-b] INDOLE ACETATE",
"3-Amino-1-methyl-5H-pyrido(4,3-b)indole acetate",
"3-Amino-1-methyl-5H-pyrido(4,3-b)indole monoacetate",
"5H-Pyrido(4,3-b)indol-3-amine, 1-methyl-, acetate",
"5H-Pyrido(4,3-b)indol-3-amine, 1-methyl-, monoacetate",
"5H-Pyrido(4,3-b)indole, 3-amino-1-methyl-, acetate",
"AC1NR4IP",
"OR16609",
"Trp-P-2 (acetate)",
"acetic acid"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to air, indoor"
],
"cas_numbers": [
"72254-58-1"
],
"ec_numbers": [],
"unit": "kg"
}
}