Consensus flow list

(2s)-5-amino-2-{[(2s)-2-aminopropanoyl]amino}-5-oxopentanoic Acid

fo-509a438ad2baae13

Identity

Type
NeutralMolecule
CAS
39537-23-0
EC
475-290-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for (2s)-5-amino-2-{[(2s)-2-aminopropanoyl]amino}-5-oxopentanoic Acid

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

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HJCMDXDYPOUFDY-WHFBIAKZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
IUPAC name chemrof:IUPAC_name (2s)-5-amino-2-{[(2s)-2-aminopropanoyl]amino}-5-oxopentanoic Acid
Molecular formula chemrof:molecular_formula C8H15N3O4
Molecular mass chemrof:molecular_mass 217.225
Monoisotopic mass chemrof:monoisotopic_mass 217.106256, 217.10626
SMILES string chemrof:smiles_string CC(N)C(=O)NC(CCC(N)=O)C(=O)O

Known URLs

23

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=39537-23-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73788 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.129.824 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20192658 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11876 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4319 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4319 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3707366 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/l-alanyl-l-glutamine enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U5JDO2770Z enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0028685 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J475.207D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=78661 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-13403 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C127908 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL3707366 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/123935 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23470770 enrich_references.chebi_xrefs
reaxys reaxys:2417888 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1359422 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q106314655 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27144111 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Alanyl-glutamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e80621a2-e17b-4577-98ea-c26e68179d27 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
734a59b2-4da0-4ee0-a95e-53d2b4f3bcd1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2a7ff96e-9b25-4259-9979-aee2ed8d1fc2 Environmental → Air → Indoor EF 3.1 kg 4
1b929a0f-d83c-45d9-845a-4081219f308c Environmental → Air → Long-term EF 3.1 kg 0
8abe94f9-e8d6-4624-98df-e9499ed68b12 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
05eea12a-6348-4826-be47-408cad467bdb Environmental → Air → Unknown EF 3.1 kg 4
722f59e2-e5cd-4a57-b33b-2057cd44a56d Environmental → Ground → Agricultural EF 3.1 kg 4
8547b8cf-8b9e-42bc-8d9e-dc3faea93712 Environmental → Ground → Non-agricultural EF 3.1 kg 4
251b66ae-2f35-487e-9a2a-97aa60372a71 Environmental → Ground → Unknown EF 3.1 kg 4
bd7a2b85-491b-4957-af70-62cb1d22af50 Environmental → Water → Long-term EF 3.1 kg 0
c19d3476-8253-41e1-8103-1124d658d199 Environmental → Water → Ocean EF 3.1 kg 4
d2c4e3c5-1a70-4e08-a42e-6d0753b80d79 Environmental → Water → Surface water EF 3.1 kg 4
74e9d631-a82b-46fc-835b-5b6ba653e817 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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