Consensus flow list

Ethyl L-threoninate

fo-edd74bcfd77a2aef

Identity

Type
Neutral molecule
CAS
23926-51-4
EC
433-730-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethyl L-threoninate

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

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JNTDLWHHJMGLGD-UHNVWZDZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H13NO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3,7H2,1-2H3/t4-,5+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCOC(=O)[C@@H](N)[C@@H](C)O
IUPAC name chemrof:IUPAC_name Ethyl L-threoninate
Molecular formula chemrof:molecular_formula C6H13NO3
Molecular mass chemrof:molecular_mass 147.174
Monoisotopic mass chemrof:monoisotopic_mass 147.089543
SMILES string chemrof:smiles_string CCOC(=O)C(N)C(C)O

Known URLs

7

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=23926-51-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.197 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.108.303 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID501313235 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J103.221F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2763097 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q76148978 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
734252ab-0b0c-47df-b4cb-bb9c66517199 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1545604d-2c75-4233-8f23-bffcdb8bba79 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4ffed93a-0aaf-4902-8f2a-cc460bcf0c17 Environmental → Air → Indoor EF 3.1 kg 4
d51270d2-99b6-44a6-b99b-2fc8a46cd9f0 Environmental → Air → Long-term EF 3.1 kg 0
82c872a4-4099-480d-b259-7ebc53d42217 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
94170d8e-8ce8-42d0-b25b-e28939b1b529 Environmental → Air → Unknown EF 3.1 kg 4
fd5edaf3-d045-48cc-8bba-6586b1486161 Environmental → Ground → Agricultural EF 3.1 kg 4
b647007a-c12c-46b6-8974-3a6b092d988f Environmental → Ground → Non-agricultural EF 3.1 kg 4
3bc24f8d-a6f8-4fa9-9633-db1b38810ebf Environmental → Ground → Unknown EF 3.1 kg 4
8b8402c8-0160-46eb-9187-1805761dc96e Environmental → Water → Long-term EF 3.1 kg 0
a1718524-98b9-4e98-bf74-12a7531ca325 Environmental → Water → Ocean EF 3.1 kg 4
6c82d015-a1a6-43b7-9008-7555c788d768 Environmental → Water → Surface water EF 3.1 kg 4
3018ac37-6d4a-4499-8571-754b82fcbecb Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-edd74bcfd77a2aef",
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    {
      "@value": "Ethyl L-threoninate",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "L-Threonine, ethyl ester",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Threonine, ethyl ester, L-",
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}

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