(r)-alpha-amino-4-hydroxybenzeneacetic Acid
fo-a49e33d2bfe74538
Identity
- Type
- NeutralMolecule
- CAS
- 22818-40-2
- EC
- 245-247-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
31- (2R)-2-Amino-2-(4-hydroxyphenyl)acetic acid
- (2R)-2-Azaniumyl-2-(4-hydroxyphenyl)acetate
- (2R)-amino(4-hydroxyphenyl)acetic acid
- (R)-(-)-2-(4-Hydroxyphenyl)glycine
- (R)-(4-Hydroxyphenyl)glycine
- (R)-2-(4-Hydroxyphenyl)glycine
- (R)-2-Amino-2-(4-hydroxyphenyl)acetic acid
- (αR)-α-Amino-4-hydroxybenzeneacetic acid
- 4-Hydroxy-D-phenylglycine
- 4-HYDROXYPHENYLGLYCINE
- Benzeneacetic acid, α-amino-4-hydroxy-, (R)-
- Benzeneacetic acid, α-amino-4-hydroxy-, (αR)-
- D-(-)-2-(4-Hydroxyphenyl)glycine
- D-(-)-2-(p-Hydroxyphenyl)glycine
- D-(-)-4-Hydroxyphenylglycine
- D-(-)-Amino(4-hydroxyphenyl)acetic acid
- D-(-)-p-Hydroxyphenylglycine
- D-(-)-α-(4-Hydroxyphenyl)glycine
- D-(-)-α-Amino-4-hydroxyphenylacetic acid
- D-(-)-α-Amino-p-hydroxyphenylacetic acid
- D-2-(4-Hydroxyphenyl)glycine
- D-2-Amino-2-(p-hydroxyphenyl)acetic acid
- D-4-Hydroxyphenylglycine
- D-N-(4-Hydroxyphenyl)glycine
- D-p-Hydroxyphenylglycine
- D-α-Amino-4-hydroxyphenylacetic acid
- D-α-Amino-p-hydroxyphenylacetic acid
- D-α-p-Hydroxyphenylglycine
- Glycine, 2-(p-hydroxyphenyl)-, D-
- p-Hydroxy-(R)-phenylglycine
- p-Hydroxy-D-phenylglycine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LJCWONGJFPCTTL-SSDOTTSWSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | N[C@@H](C(=O)O)c1ccc(O)cc1 |
| IUPAC name chemrof:IUPAC_name | (r)-alpha-amino-4-hydroxybenzeneacetic Acid |
| Molecular formula chemrof:molecular_formula | C8H9NO3 |
| Molecular mass chemrof:molecular_mass | 167.164 |
| Monoisotopic mass chemrof:monoisotopic_mass | 167.05824, 167.058243 |
| SMILES string chemrof:smiles_string | NC(C(=O)O)c1ccc(O)cc1 |
Known URLs
21Where 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=22818-40-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15695 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.041.119 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID401014840 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04308 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PCM9OIX717 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.816F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C03493 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C03493 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50225 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=D-4-HYDROXYPHENYLGLYCINE | enrich_references.chebi_xrefs |
| patent | patent:US4260684 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:GHP | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/89853 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20140718 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22307823 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22515657 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7716788 | enrich_references.chebi_xrefs |
| reaxys | reaxys:6056393 | enrich_references.chebi_xrefs |
| wikidata.org | https://www.wikidata.org/wiki/Q106345509 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q27095129 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0070fffb-5648-4ee1-a71a-1568806da0e4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| bba896c3-b4a4-46b5-818e-35359c85c4af | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8c772696-3380-465f-832d-298d2c6f72b4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08acac42-cff0-44a3-9699-ed02039c553f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fdd729e2-7004-4292-8cfc-5e1df46d4ece | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 81833e82-75e0-4f24-900a-7046092bdced | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 2ed50252-34c3-422e-acd4-ce89f2990357 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 59cc43a2-7ca2-430d-9855-e94988c48e65 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8ba68435-789c-4d39-876c-e67a6844ae53 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 61ba8ada-8902-4337-8153-aca4e05d21c7 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 20be9380-0d83-4499-85bd-66a85ee33505 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ededd9af-6d3e-4d36-894c-87a0f5e577c2 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8e918ac4-5050-43f9-a4de-81bc419ad96e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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{
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{
"@value": "Glycine, 2-(p-hydroxyphenyl)-, D-",
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},
{
"@value": "p-Hydroxy-(R)-phenylglycine",
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{
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