(Q27120903)

(4E)-4-[(3-Aminopropyl)imino]-1-butanamine (English)

6 October 2016

chemical formula

C₇H₁₇N₃

0 references

canonical SMILES

C(CC(=NCCCN)[H])CN

1 reference

N-[(E)-4-aminobutylidene]propane-1,3-diamine (English)

Recon 2.2: from reconstruction to model of human metabolism

6 October 2016

isomeric SMILES

NCCC/C=N/CCCN

1 reference

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+

1 reference

N-[(E)-4-aminobutylidene]propane-1,3-diamine (English)

YAVLYBVKPXLZEQ-UXBLZVDNSA-N

6 October 2016

InChIKey

2 references

N-[(E)-4-aminobutylidene]propane-1,3-diamine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

(4E)-4-[(3-Aminopropyl)imino]-1-butanamine (English)

6 October 2016

ChEBI ID

48007

mapping relation type

2 references

N-[(E)-4-aminobutylidene]propane-1,3-diamine (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+

DSSTox substance ID

DTXSID80635359

2 references

stated in

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

matched by identifier from

InChIKey

YAVLYBVKPXLZEQ-UXBLZVDNSA-N

DSSTOX compound identifier

DTXCID80586110

0 references

Human Metabolome Database ID

HMDB0012925

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YAVLYBVKPXLZEQ-UXBLZVDNSA-N

1 reference

N-[(E)-4-aminobutylidene]propane-1,3-diamine (English)