putrescine (CHEBI:17148)

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CHEBI:17148 - putrescine

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ChEBI Name	putrescine

ChEBI ID	CHEBI:17148

Definition	A four-carbon alkane-α,ω-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:45092, CHEBI:8650, CHEBI:14972, CHEBI:26405

Supplier Information	eMolecules:31231867, ZINC000003875985

Download	Molfile XML SDF

more structures >>

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18 17 0 0 0 0 999 V2000

0.7394 -0.2387 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.7354 0.1406 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0

0.8739 -1.5516 -0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.8698 1.4504 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0

2.2856 -1.8771 -1.0636 N 0 0 0 0 0 0 0 0 0 0 0 0

-2.2808 1.7563 1.2618 N 0 0 0 0 0 0 0 0 0 0 0 0

1.2631 -0.3494 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0

1.2263 0.5680 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.2591 0.2535 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.2225 -0.6669 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4072 -2.3754 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0

0.3867 -1.4542 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.4197 2.2801 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.3665 1.3559 1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0

2.3141 -2.7206 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0

2.6841 -1.1176 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.3114 2.6537 1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.7151 1.8931 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

1 3 1 0 0 0 0

2 4 1 0 0 0 0

3 5 1 0 0 0 0

4 6 1 0 0 0 0

1 7 1 0 0 0 0

1 8 1 0 0 0 0

2 9 1 0 0 0 0

2 10 1 0 0 0 0

3 11 1 0 0 0 0

3 12 1 0 0 0 0

4 13 1 0 0 0 0

4 14 1 0 0 0 0

5 15 1 0 0 0 0

5 16 1 0 0 0 0

6 17 1 0 0 0 0

6 18 1 0 0 0 0

M END): 23 ms

reading 18 atoms

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18 atoms created

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Wikipedia	License
β-Tocopherol (beta-tocopherol) is a type of tocopherol with formula C28H48O2.
Read full article at Wikipedia

Formula

C4H12N2

Net Charge

Average Mass

88.15150

Monoisotopic Mass

88.10005

InChI

InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

InChIKey

KIDHWZJUCRJVML-UHFFFAOYSA-N

SMILES

NCCCCN

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Chlamydomonas reinhardtii (NCBI:txid3055)	See: PubMed
Daphnia magna (NCBI:txid35525)	See: Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	fundamental metabolite Any metabolite produced by all living cells.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	putrescine (CHEBI:17148) has role antioxidant (CHEBI:22586) putrescine (CHEBI:17148) has role fundamental metabolite (CHEBI:78675) putrescine (CHEBI:17148) is a alkane-α,ω-diamine (CHEBI:35411) putrescine (CHEBI:17148) is conjugate base of 1,4-butanediammonium (CHEBI:326268)

Incoming	γ-glutamylputrescine (CHEBI:48006) has functional parent putrescine (CHEBI:17148) 2-hydroxyputrescine (CHEBI:180907) has functional parent putrescine (CHEBI:17148) N-(4-aminobutyl)dabigatranamide (CHEBI:73197) has functional parent putrescine (CHEBI:17148) N-substituted putrescine (CHEBI:26406) has functional parent putrescine (CHEBI:17148) N-butyrylputrescine (CHEBI:232519) has functional parent putrescine (CHEBI:17148) N-isobutyrylputrescine (CHEBI:232520) has functional parent putrescine (CHEBI:17148) 1,4-butanediammonium (CHEBI:326268) is conjugate acid of putrescine (CHEBI:17148)

IUPAC Name

butane-1,4-diamine

Synonyms	Sources
1,4-Butanediamine	KEGG COMPOUND
1,4-butylenediamine	ChemIDplus
1,4-DIAMINOBUTANE	PDBeChem
1,4-tetramethylenediamine	NIST Chemistry WebBook
Butane-1,4-diamine	KEGG COMPOUND
butylenediamine	ChemIDplus
H₂N(CH₂)₄NH₂	NIST Chemistry WebBook
Putrescin	ChEBI
putrescina	ChEBI
Putrescine	KEGG COMPOUND
Putreszin	ChEBI
Tetramethylendiamin	ChEBI
Tetramethylenediamine	KEGG COMPOUND

Manual Xrefs	Databases
1393	BPDB
C00001428	KNApSAcK
C00134	KEGG COMPOUND
DB01917	DrugBank
ECMDB01414	ECMDB
HMDB0001414	HMDB
PUT	PDBeChem
Putrescine	Wikipedia
PUTRESCINE	MetaCyc
YMDB00132	YMDB
View more database links

Registry Numbers	Types	Sources
110-60-1	CAS Registry Number	ChemIDplus
110-60-1	CAS Registry Number	NIST Chemistry WebBook
1715	Gmelin Registry Number	Gmelin
605282	Reaxys Registry Number	Reaxys

Citations

Last Modified

03 December 2024

CHEBI:17148 - putrescine

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