N(8)-acetylspermidine (Q3869341)

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chemical compound

• N(8)-monoacetylspermidine
• N-[4-[(3-Aminopropyl)amino]butyl]-Acetamide

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Language	Label	Description	Also known as
English	N(8)-acetylspermidine	chemical compound	N(8)-monoacetylspermidine N-[4-[(3-Aminopropyl)amino]butyl]-Acetamide

Statements

instance of

type of chemical entity

0 references

subclass of

spermidine

1 reference

based on heuristic

inferred from SMILES

chemical structure

N(8)-Acetylspermidine.png
2,102 × 437; 11 KB

0 references

mass

187.168 dalton

1 reference

stated in

PubChem

PubChem CID

123689

language of work or name

English

title

N8-Acetylspermidine (English)

retrieved

19 October 2016

chemical formula

C₉H₂₁N₃O

1 reference

stated in

PubChem

PubChem CID

123689

language of work or name

English

title

N8-Acetylspermidine (English)

retrieved

19 October 2016

canonical SMILES

CC(=O)NCCCCNCCCN

1 reference

stated in

PubChem

PubChem CID

123689

language of work or name

English

title

N8-Acetylspermidine (English)

retrieved

19 October 2016

isomeric SMILES

C/C(=N/CCCCNCCCN)/O

1 reference

stated in

ChemSpider

ChemSpider ID

110264

language of work or name

English

title

N8-Acetylspermidine (English)

retrieved

19 October 2016

found in taxon

Homo sapiens

2 references

stated in

Recon 2.2: from reconstruction to model of human metabolism

stated in

A community-driven global reconstruction of human metabolism.

Phaseolus vulgaris

1 reference

stated in

Metabolite Profiling of Root Exudates of Common Bean under Phosphorus Deficiency

Escherichia coli

1 reference

stated in

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Identifiers

InChI

InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)

1 reference

stated in

PubChem

PubChem CID

123689

language of work or name

English

title

N8-Acetylspermidine (English)

retrieved

19 October 2016

InChIKey

FONIWJIDLJEJTL-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

123689

language of work or name

English

title

N8-Acetylspermidine (English)

retrieved

19 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

13431-24-8

2 references

stated in

ChEBI

ChEBI ID

27911

language of work or name

English

title

N(8)-acetylspermidine (English)

retrieved

19 October 2016

InChIKey

FONIWJIDLJEJTL-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=13431-24-8

ChemSpider ID

110264

1 reference

stated in

ChemSpider

ChemSpider ID

110264

language of work or name

English

title

N8-Acetylspermidine (English)

retrieved

19 October 2016

PubChem CID

123689

2 references

stated in

PubChem

PubChem CID

123689

language of work or name

English

title

N8-Acetylspermidine (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

FONIWJIDLJEJTL-UHFFFAOYSA-N

Reaxys registry number

1769094

1 reference

stated in

ChEBI

ChEBI ID

27911

language of work or name

English

title

N(8)-acetylspermidine (English)

retrieved

19 October 2016

ChEBI ID

27911

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

27911

language of work or name

English

title

N(8)-acetylspermidine (English)

retrieved

19 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)

ChEMBL ID

CHEMBL78630

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL78630

language of work or name

English

title

CHEMBL78630 (English)

retrieved

19 October 2016

SureChEMBL ID

SCHEMBL183049

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FONIWJIDLJEJTL-UHFFFAOYSA-N

UniChem compound ID

38890

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Keio_Univ-KO002268

0 references

MSBNK-Keio_Univ-KO002269

0 references

MSBNK-Keio_Univ-KO002270

0 references

MSBNK-Keio_Univ-KO002271

0 references

MSBNK-Keio_Univ-KO002272

0 references

SPLASH

splash10-01w0-0900000000-e68fd1aa92642ae4208d

0 references

splash10-03k9-7900000000-287b3decd26c7daeb830

0 references

splash10-0089-9100000000-e42a1f8955afadd5f50d

0 references

splash10-0089-9000000000-b18801afe8921946e40f

0 references

DSSTox substance ID

DTXSID60158637

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

FONIWJIDLJEJTL-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID1081128

0 references

Human Metabolome Database ID

HMDB0002189

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FONIWJIDLJEJTL-UHFFFAOYSA-N

KNApSAcK ID

C00059691

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

FONIWJIDLJEJTL-UHFFFAOYSA-N

PDB ligand ID

Q9C

0 references

Google Knowledge Graph ID

/g/11r_pqq0f

0 references

PDB structure ID

3Q9C

1 reference

stated in

Protein Data Bank

PDB structure ID

3Q9C

language of work or name

English

title

3Q9C (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(1 entry)

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• itwiki N8-acetilspermidina

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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