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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 14:17:46 UTC

Update Date

2023-02-21 17:16:19 UTC

HMDB ID

HMDB0002284

Secondary Accession Numbers

HMDB02284

Metabolite Identification

Common Name

N-Acetylcadaverine

Description

N-Acetylcadaverine is the acetylated form of the polyamine cadaverine. Cadaverine is produced by the breakdown of amino acids in living and dead organisms and is toxic in large doses. Cadaverine is largely responsible for the foul odor of putrefying flesh, but also contributes to the odor of such processes as bad breath and bacterial vaginosis. Cadaverine is also found in semen. Polyamines (and their acetylated forms) are known to be closely related with cell growth, cell proliferation, and synthesis of proteins and nucleic acids. Their concentrations are adjusted either by regulating the activity levels of the biosynthetic and catabolic reactions or by controlling the net direction of polyamine acetylation-deacetylation. In Alzheimer's disease (AD), the neurotoxic amyloid β-peptide is known to up-regulate polyamine metabolism by increasing ornithine decarboxylase activity and polyamine uptake by initiating free radical damage. Because of these findings, polyamines have been considered to play an important role in response to neurodegenerative conditions. Altered levels of polyamines have been found in tissue, hair and body fluids of patients with neuromuscular diseases and neurodegenerative conditions. (PMID: 17723614 ). N-Acetylcadaverine has been found to be a metabolite of several bacteria species (https://www.sciencedirect.com/science/article/pii/S209580991730423X).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Monoacetyl cadaverine	ChEBI
Monoacetylcadaverine	ChEBI
Acetylcadaverine	HMDB
N-(5-Aminopentyl)acetamide	HMDB

Chemical Formula

C₇H₁₆N₂O

Average Molecular Weight

144.2147

Monoisotopic Molecular Weight

144.126263144

IUPAC Name

N-(5-aminopentyl)acetamide

Traditional Name

N-acetylcadaverine

CAS Registry Number

32343-73-0

SMILES

CC(=O)NCCCCCN

InChI Identifier

InChI=1S/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)

InChI Key

RMOIHHAKNOFHOE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Acetamides

Alternative Parents

Substituents

Acetamide
Secondary carboxylic acid amide
Amino acid or derivatives
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0002284)

Excreta

Biofluid or Excreta

Feces (HMDB: HMDB0002284)
Urine (HMDB: HMDB0002284)

Source

Endogenous

Endogenous (HMDB: HMDB0002284)

Microbe

Microbe (HMDB: HMDB0002284)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	MetCCS_train_neg	131.771	30932474
[M+H]+	MetCCS_train_pos	132.95	30932474
[M-H]-	Not Available	131.771	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000052
[M+H]+	Not Available	133.439	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000052

Predicted Molecular Properties

Property	Value	Source
Water Solubility	23.7 g/L	ALOGPS
logP	-0.4	ALOGPS
logP	-0.58	ChemAxon
logS	-0.78	ALOGPS
pKa (Strongest Acidic)	16.53	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	55.12 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	41.42 m³·mol⁻¹	ChemAxon
Polarizability	17.36 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	133.831	31661259
DarkChem	[M-H]-	128.373	31661259
DeepCCS	[M+H]+	135.704	30932474
DeepCCS	[M-H]-	132.645	30932474
DeepCCS	[M-2H]-	169.169	30932474
DeepCCS	[M+Na]+	144.657	30932474
AllCCS	[M+H]+	133.4	32859911
AllCCS	[M+H-H2O]+	129.4	32859911
AllCCS	[M+NH4]+	137.1	32859911
AllCCS	[M+Na]+	138.1	32859911
AllCCS	[M-H]-	134.5	32859911
AllCCS	[M+Na-2H]-	136.9	32859911
AllCCS	[M+HCOO]-	139.6	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylcadaverine,1TMS,isomer #1	CC(=O)NCCCCCN[Si](C)(C)C	1610.2	Semi standard non polar	33892256
N-Acetylcadaverine,1TMS,isomer #1	CC(=O)NCCCCCN[Si](C)(C)C	1558.6	Standard non polar	33892256
N-Acetylcadaverine,1TMS,isomer #1	CC(=O)NCCCCCN[Si](C)(C)C	2102.9	Standard polar	33892256
N-Acetylcadaverine,1TMS,isomer #2	CC(=O)N(CCCCCN)[Si](C)(C)C	1478.6	Semi standard non polar	33892256
N-Acetylcadaverine,1TMS,isomer #2	CC(=O)N(CCCCCN)[Si](C)(C)C	1551.2	Standard non polar	33892256
N-Acetylcadaverine,1TMS,isomer #2	CC(=O)N(CCCCCN)[Si](C)(C)C	2299.7	Standard polar	33892256
N-Acetylcadaverine,2TMS,isomer #1	CC(=O)N(CCCCCN[Si](C)(C)C)[Si](C)(C)C	1583.2	Semi standard non polar	33892256
N-Acetylcadaverine,2TMS,isomer #1	CC(=O)N(CCCCCN[Si](C)(C)C)[Si](C)(C)C	1773.2	Standard non polar	33892256
N-Acetylcadaverine,2TMS,isomer #1	CC(=O)N(CCCCCN[Si](C)(C)C)[Si](C)(C)C	1775.0	Standard polar	33892256
N-Acetylcadaverine,2TMS,isomer #2	CC(=O)NCCCCCN([Si](C)(C)C)[Si](C)(C)C	1841.2	Semi standard non polar	33892256
N-Acetylcadaverine,2TMS,isomer #2	CC(=O)NCCCCCN([Si](C)(C)C)[Si](C)(C)C	1762.3	Standard non polar	33892256
N-Acetylcadaverine,2TMS,isomer #2	CC(=O)NCCCCCN([Si](C)(C)C)[Si](C)(C)C	1997.8	Standard polar	33892256
N-Acetylcadaverine,3TMS,isomer #1	CC(=O)N(CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1801.0	Semi standard non polar	33892256
N-Acetylcadaverine,3TMS,isomer #1	CC(=O)N(CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1917.4	Standard non polar	33892256
N-Acetylcadaverine,3TMS,isomer #1	CC(=O)N(CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1768.7	Standard polar	33892256
N-Acetylcadaverine,1TBDMS,isomer #1	CC(=O)NCCCCCN[Si](C)(C)C(C)(C)C	1860.7	Semi standard non polar	33892256
N-Acetylcadaverine,1TBDMS,isomer #1	CC(=O)NCCCCCN[Si](C)(C)C(C)(C)C	1770.2	Standard non polar	33892256
N-Acetylcadaverine,1TBDMS,isomer #1	CC(=O)NCCCCCN[Si](C)(C)C(C)(C)C	2143.0	Standard polar	33892256
N-Acetylcadaverine,1TBDMS,isomer #2	CC(=O)N(CCCCCN)[Si](C)(C)C(C)(C)C	1687.7	Semi standard non polar	33892256
N-Acetylcadaverine,1TBDMS,isomer #2	CC(=O)N(CCCCCN)[Si](C)(C)C(C)(C)C	1755.4	Standard non polar	33892256
N-Acetylcadaverine,1TBDMS,isomer #2	CC(=O)N(CCCCCN)[Si](C)(C)C(C)(C)C	2311.6	Standard polar	33892256
N-Acetylcadaverine,2TBDMS,isomer #1	CC(=O)N(CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2074.0	Semi standard non polar	33892256
N-Acetylcadaverine,2TBDMS,isomer #1	CC(=O)N(CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2154.8	Standard non polar	33892256
N-Acetylcadaverine,2TBDMS,isomer #1	CC(=O)N(CCCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1998.0	Standard polar	33892256
N-Acetylcadaverine,2TBDMS,isomer #2	CC(=O)NCCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2263.0	Semi standard non polar	33892256
N-Acetylcadaverine,2TBDMS,isomer #2	CC(=O)NCCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2171.5	Standard non polar	33892256
N-Acetylcadaverine,2TBDMS,isomer #2	CC(=O)NCCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2095.2	Standard polar	33892256
N-Acetylcadaverine,3TBDMS,isomer #1	CC(=O)N(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2434.7	Semi standard non polar	33892256
N-Acetylcadaverine,3TBDMS,isomer #1	CC(=O)N(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2473.9	Standard non polar	33892256
N-Acetylcadaverine,3TBDMS,isomer #1	CC(=O)N(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2116.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylcadaverine GC-MS (Non-derivatized) - 70eV, Positive	splash10-001l-9000000000-06147dfcd9c450f9f418	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylcadaverine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 10V, Positive-QTOF	splash10-0ufs-3900000000-9d16b7430dbb509b83ed	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 20V, Positive-QTOF	splash10-0udi-9800000000-e75e37d1af196e17b6ea	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 40V, Positive-QTOF	splash10-05nf-9000000000-4ae88c31526f55eef559	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 10V, Negative-QTOF	splash10-0006-2900000000-20b0aeef985ef2a34ffe	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 20V, Negative-QTOF	splash10-0udi-5900000000-e747329b2881eb734d0e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 40V, Negative-QTOF	splash10-052f-9000000000-ca12c55eb237562ff8e1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 10V, Positive-QTOF	splash10-004s-2900000000-8d912fec58d282ee38f2	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 20V, Positive-QTOF	splash10-000i-9200000000-d196f42d15b308ed06ec	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 40V, Positive-QTOF	splash10-052f-9000000000-c75b850b1f4d70c9dc3e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 10V, Negative-QTOF	splash10-0006-3900000000-d74b7ce74028d6624d60	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 20V, Negative-QTOF	splash10-0a4i-9000000000-9981f655f72c6898948d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylcadaverine 40V, Negative-QTOF	splash10-0006-9000000000-6887861a6c20fdd3a3dc	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Urine	Detected and Quantified	0.16 (0.04-0.87) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	3757213	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	9464484	details
Urine	Detected and Quantified	0.279 +/- 0.17 umol/mmol creatinine	Adult (>18 years old)	Both	Not Available	9464484	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Leukemia	9464484	details
Urine	Detected and Quantified	0.460 +/- 0.232 umol/mmol creatinine	Adult (>18 years old)	Both	Leukemia	9464484	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Leukemia
Lee SH, Suh JW, Chung BC, Kim SO: Polyamine profiles in the urine of patients with leukemia. Cancer Lett. 1998 Jan 9;122(1-2):1-8. [PubMed:9464484 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022947

KNApSAcK ID

Not Available

Chemspider ID

164295

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

189087

PDB ID

Not Available

ChEBI ID

88824

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Sugita, Yuzo; Yoshimura, Yoshinori; Okada, Masato. Manufacture of monoacetylpolyamines with diacetylpolyamine amidohydrolase or microorganisms. Jpn. Kokai Tokkyo Koho (1992), 11 pp. CODEN: JKXXAF JP 04234992 A 19920824 Heisei. CAN 118:21079 AN 1993:21079

Material Safety Data Sheet (MSDS)

Not Available

General References

Abdel-Monem MM, Ohno K: Polyamine metabolism II: N-(Monoaminoalkyl)- and N-(polyaminoalkyl)acetamides in human urine. J Pharm Sci. 1977 Aug;66(8):1195-7. [PubMed:894508 ]
Lee SH, Kim SO, Lee HD, Chung BC: Estrogens and polyamines in breast cancer: their profiles and values in disease staging. Cancer Lett. 1998 Nov 13;133(1):47-56. [PubMed:9929159 ]
Paik MJ, Lee S, Cho KH, Kim KR: Urinary polyamines and N-acetylated polyamines in four patients with Alzheimer's disease as their N-ethoxycarbonyl-N-pentafluoropropionyl derivatives by gas chromatography-mass spectrometry in selected ion monitoring mode. Anal Chim Acta. 2006 Aug 18;576(1):55-60. Epub 2006 Feb 24. [PubMed:17723614 ]

Showing metabocard for N-Acetylcadaverine (HMDB0002284)

MOL for HMDB0002284 (N-Acetylcadaverine)

3D MOL for HMDB0002284 (N-Acetylcadaverine)

3D SDF for HMDB0002284 (N-Acetylcadaverine)

3D-SDF for HMDB0002284 (N-Acetylcadaverine)

PDB for HMDB0002284 (N-Acetylcadaverine)

3D PDB for HMDB0002284 (N-Acetylcadaverine)

SMILES for HMDB0002284 (N-Acetylcadaverine)

INCHI for HMDB0002284 (N-Acetylcadaverine)

Structure for HMDB0002284 (N-Acetylcadaverine)

3D Structure for HMDB0002284 (N-Acetylcadaverine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra