Bubet
fo-d95c3e6d09b3e84e
Identity
- Type
- Zwitterion
- CAS
- 407-64-7
- EC
- 457-470-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
15- (3-Carboxypropyl)trimethylammonium hydroxide, inner salt
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, inner salt
- 3-Dehydroxycarnitine
- 4-(N-trimethylamino)butyrate
- 4-(trimethylamino)butanoate
- 4-(trimethylammonio)butanoate
- 4-butyrobetaine
- Actinine
- Ammonium, (3-carboxypropyl)trimethyl-, hydroxide, inner salt
- butyrobetaine
- deoxycarnitine
- gamma-Butyrobetain
- gamma-butyrobetaine
- γ-Aminobutyric acid betaine
- γ-Butyrobetaine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JHPNVNIEXXLNTR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 4-(trimethylammonio)butanoate |
| Molecular formula chemrof:molecular_formula | C7H15NO2 |
| Molecular mass chemrof:molecular_mass | 145.202 |
| Monoisotopic mass chemrof:monoisotopic_mass | 145.110279, 145.11028 |
| SMILES string chemrof:smiles_string | C[N+](C)(C)CCCC(=O)[O-] |
Known URLs
18Where 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=407-64-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16244 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.114.246 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID00961102 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2074645 | enrich_references.pubchem_identifier_url |
| ecmdb | ecmdb:ECMDB21336 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HD7GI3HY9Q | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001161 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0006831 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.396D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=166512 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=39059 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=GAMMA-BUTYROBETAINE | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/725 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3148329 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/398096 | enrich_references.chebi_xrefs |
| reaxys | reaxys:3538300 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27073962 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 871d6c7d-13de-42f3-be7d-25a2fc151213 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 37556a00-715f-4a8e-a2c4-ea313d2fa99b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| fdcbeb85-b468-4aa4-8662-490a4df560de | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 941aee3a-99f6-48b8-bd87-9612296d7bd7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a8075898-c12f-4253-acdd-29585fb56fc5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ce28f227-b906-4cd0-b953-98edb8cbf47b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 990dd445-30b8-4d83-865d-4fa8dd941172 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 6f5c5130-10cf-4ffd-ad5f-ee0d11d950e6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 0f02be56-ae1e-467d-acda-3370779b0619 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fae2a2a2-6661-4e8d-adba-cf1017a760d2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| abded67b-1f3e-41e9-82de-4eca26fc48eb | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 5ece2758-5acf-472b-869a-77285c54a70b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e205d445-d739-4483-abd9-d8f813844acc | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 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