N(1)-aminoaminopropylagmatine (Q27133226)

1-{4-[(3-Aminopropyl)amino]butyl}guanidine (English)

19 October 2016

chemical formula

C₈H₂₁N₅

1 reference

1-{4-[(3-Aminopropyl)amino]butyl}guanidine (English)

19 October 2016

canonical SMILES

C(CCN=C(N)N)CNCCCN

1 reference

1-{4-[(3-Aminopropyl)amino]butyl}guanidine (English)

19 October 2016

isomeric SMILES

[H]/N=C(/N)\NCCCCNCCCN

1 reference

stated in

RCSB protein data bank

PDB ligand ID

AG3

N1-aminopropylagmatine, a new polyamine produced as a key intermediate in polyamine biosynthesis of an extreme thermophile, Thermus thermophilus

16 February 2021

1 reference

Identifiers

InChI

InChI=1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)

1 reference

1-{4-[(3-Aminopropyl)amino]butyl}guanidine (English)

19 October 2016

2 references

1-{4-[(3-Aminopropyl)amino]butyl}guanidine (English)

19 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

1-{4-[(3-Aminopropyl)amino]butyl}guanidine (English)

19 October 2016

2 references

1-{4-[(3-Aminopropyl)amino]butyl}guanidine (English)

19 October 2016

ChEBI ID

64339

mapping relation type

2 references

N(1)-aminoaminopropylagmatine (English)

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID10288377

0 references

Natural Product Atlas ID

NPA004097

2 references

based on heuristic

inferred from InChIKey

0 references

1 reference

2ZSU (English)

19 October 2016

1 reference

2E5W (English)