Consensus flow list

2-aminopteridine-4,7-diol

fo-d5ed948b1217b47f

Identity

Type
Neutral molecule
CAS
529-69-1
EC
208-469-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-aminopteridine-4,7-diol

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GLKCOBIIZKYKFN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
IUPAC name chemrof:IUPAC_name 2-aminopteridine-4,7-diol
Molecular formula chemrof:molecular_formula C6H5N5O2
Molecular mass chemrof:molecular_mass 179.139
Monoisotopic mass chemrof:monoisotopic_mass 179.04432, 179.044324
SMILES string chemrof:smiles_string Nc1nc(O)c2ncc(O)nc2n1

Known URLs

16

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=529-69-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16713 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.700 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20200949 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=118090 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=614991 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL464251 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XR11PF6TYR enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000704 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J102.690I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.796.378J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C03975 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C03975 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37376 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135398700 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27102039 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0b26d701-19f1-412f-9e55-c9bec0362295 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
aed0bc65-3fb8-4b9e-bf7c-b71acbf59f0e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b861bf58-d16e-4f52-ae40-3e39c92c08f2 Environmental → Air → Indoor EF 3.1 kg 2
9e7960c5-73c5-4f04-94f2-619ae116675c Environmental → Air → Long-term EF 3.1 kg 0
f571cd03-56ed-4048-a9fa-db6076c5ba74 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
24105804-eaa2-4488-95de-185365922a88 Environmental → Air → Unknown EF 3.1 kg 2
caf4a1c9-fa8a-49cc-bd90-618f6b97bb54 Environmental → Ground → Agricultural EF 3.1 kg 2
473efe3a-c700-458d-9a30-012b9683128d Environmental → Ground → Non-agricultural EF 3.1 kg 2
a9d3f8e8-cb79-496c-b5ab-80d90998fa03 Environmental → Ground → Unknown EF 3.1 kg 2
703bf65d-dac4-40b3-8ce6-d4bd2c60a84e Environmental → Water → Long-term EF 3.1 kg 0
cad18908-4982-4fc7-8e02-153c87e9aa0d Environmental → Water → Ocean EF 3.1 kg 2
a6b6aa11-b535-4ba2-80f0-b57022d81312 Environmental → Water → Surface water EF 3.1 kg 2
e3ab8588-c37a-4357-b8bf-e5492d27a9af 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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