β-Carboline
fo-5227dfea0ce231f7
Identity
- Type
- Neutral molecule
- CAS
- 244-63-3
- EC
- 205-959-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
9- 2,9-Diazafluorene
- 2-Azacarbazole
- 9H-beta-Carboline
- 9H-Pyrido(3,4-B)indole
- 9h-pyrido[3,4-b]indole
- beta-carboline
- Carbazoline
- Norharman
- Norharmane
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | AIFRHYZBTHREPW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H |
| IUPAC name chemrof:IUPAC_name | β-Carboline |
| Molecular formula chemrof:molecular_formula | C11H8N2 |
| Molecular mass chemrof:molecular_mass | 168.199 |
| Monoisotopic mass chemrof:monoisotopic_mass | 168.068748, 168.06875 |
| SMILES string chemrof:smiles_string | c1ccc2c(c1)[nH]c1cnccc12 |
Known URLs
25Where 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=244-63-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:109895 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.418 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2021070 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=84417 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL275224 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/94HMA1I78O | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0012897 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.605.351A | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.931B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C20157 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C20157 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-19021 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=187131 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42129 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-15304 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:NRH | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/SSCBVNNDG2KC | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/64961 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=109050 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23600147 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8070089 | enrich_references.chebi_xrefs |
| reaxys | reaxys:128414 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q414226 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Beta-Carboline | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d7bf7239-9ed0-4364-b693-9e98430da632 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 293cd5e8-48b2-49c9-b722-ce788658cc8c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 0a774aa9-68dc-4966-8b50-ecce8a5af814 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| edf5ca2e-74a0-4c6c-a2d9-36f1230ac42e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e26d7da6-c040-47f9-9a30-eaabf32802f8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| cc612e60-e3cb-4ee4-8844-a64e8034e4f3 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 8ed44877-fdb8-4d94-a519-6e2c114c570f | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| dc4752eb-a95d-4b1b-93f5-37be9e5d4da8 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 99c4252b-c150-4e8e-8c8f-6706d89eb801 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 617d88bc-e024-4e0b-b436-ccb0382815a0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 124e96ae-feed-4502-8d81-1b9a7101577c | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 93a2ae57-1823-4d52-9d6b-ef0387466b14 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| dd176a38-ec15-430d-b564-8ad5a905ea13 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
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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