Consensus flow list

Methyl (2s,3r)-2-amino-3-hydroxy-butanoate

fo-5e1617e9048f1c9b

Identity

Type
NeutralMolecule
CAS
3373-59-9
EC
222-158-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Methyl (2s,3r)-2-amino-3-hydroxy-butanoate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TVHCXXXXQNWQLP-DMTCNVIQSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H11NO3/c1-3(7)4(6)5(8)9-2/h3-4,7H,6H2,1-2H3/t3-,4+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string COC(=O)[C@@H](N)[C@@H](C)O
IUPAC name chemrof:IUPAC_name Methyl (2s,3r)-2-amino-3-hydroxy-butanoate
Molecular formula chemrof:molecular_formula C5H11NO3
Molecular mass chemrof:molecular_mass 133.147
Monoisotopic mass chemrof:monoisotopic_mass 133.073893
SMILES string chemrof:smiles_string COC(=O)C(N)C(C)O

Known URLs

8

Where 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=3373-59-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.145 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50955339 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1229068 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9FOK073U22 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.460D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2734894 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27272500 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d1f35d5b-2e87-49c3-85be-a26fbbbd4b37 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d2933a83-64ab-4ba8-8233-43f7a0fa457b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ab9e9c76-f049-4ae5-81aa-1d3e9dbb67fa Environmental → Air → Indoor EF 3.1 kg 2
0cbbc30f-eaa2-411f-9ceb-f6999528396b Environmental → Air → Long-term EF 3.1 kg 0
e516e959-5ff6-4797-b6d4-2e100bf6dd8e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1fb01816-f4b4-4b92-b28b-540ea6aa99fc Environmental → Air → Unknown EF 3.1 kg 2
5d377492-2d90-4d84-ba6b-f0cce03452b2 Environmental → Ground → Agricultural EF 3.1 kg 2
fc7adfb0-96cf-4cd4-b3fb-07b0e6e49536 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8ebc6565-4867-494f-87e4-cf83b61a413a Environmental → Ground → Unknown EF 3.1 kg 2
1c36449e-574d-44c7-8815-5b802aa7aa0a Environmental → Water → Long-term EF 3.1 kg 0
0048cb7a-1c78-4f8b-93a6-a51e88729c3d Environmental → Water → Ocean EF 3.1 kg 2
ad739ab0-41c8-4a9a-a6a4-a6f6a9526e16 Environmental → Water → Surface water EF 3.1 kg 2
9f5fe652-cd03-40b7-9f13-38efc7ffa160 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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