Consensus flow list

Identity

Type
Neutral molecule
CAS
462-94-2
EC
207-329-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Cadaverine

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VHRGRCVQAFMJIZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
IUPAC name chemrof:IUPAC_name Cadaverine
Molecular formula chemrof:molecular_formula C5H14N2
Molecular mass chemrof:molecular_mass 102.181
Monoisotopic mass chemrof:monoisotopic_mass 102.115698, 102.1157
SMILES string chemrof:smiles_string NCCCCCN

Known URLs

34

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=462-94-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18127 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.664 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5075448 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB03854 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB03854 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL119296 enrich_references.pubchem_identifier_url
gmelin gmelin:2310 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L90BEN6OLL enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002322 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.771A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01672 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01672 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001403 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38124 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CADAVERINE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C95330 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:N2P enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/XAP9P6FX95CV enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL119296 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/273 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10930630 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11397445 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11517436 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16346523 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16668466 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17439666 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23561112 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23794626 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23811038 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23887488 enrich_references.chebi_xrefs
reaxys reaxys:1697256 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q161555 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cadaverine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d744fb8b-7a6c-4647-b9fa-56eb263d33cf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9e465fa9-cb4c-4acf-af3c-59b8373fded7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6ac9aa14-ff9e-4329-8a56-97649af1793a Environmental → Air → Indoor EF 3.1 kg 2
0aca63bf-0a3f-442e-8df3-15699682e382 Environmental → Air → Long-term EF 3.1 kg 0
e39cbaae-123d-467f-aa1c-9c1ae7602e4e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1c63e626-8fb9-454a-8f5a-6539e9d094c8 Environmental → Air → Unknown EF 3.1 kg 2
e7768922-047e-4b4b-a0b4-f310b3f18ce7 Environmental → Ground → Agricultural EF 3.1 kg 2
b148b68f-089c-467f-be82-ffb03a33b4af Environmental → Ground → Non-agricultural EF 3.1 kg 2
c24b9765-a76b-447b-92bd-585249f2791f Environmental → Ground → Unknown EF 3.1 kg 2
72cd9713-9131-4d3f-9053-f934d6659995 Environmental → Water → Long-term EF 3.1 kg 0
257b78e4-ff37-44c7-ac5c-dd86cc6f0748 Environmental → Water → Ocean EF 3.1 kg 2
607d81d3-77b5-480f-b237-b194a2ffabc0 Environmental → Water → Surface water EF 3.1 kg 2
87ad1992-5a81-4d51-9db1-fc36ce02a0b6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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    },
    {
      "@value": "1,5-Diamino-n-pentane",
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    },
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      "@value": "1,5-Diaminopentane",
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    },
    {
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    },
    {
      "@value": "Pentane-1,5-diamine",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "α,ω-Pentanediamine",
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