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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-07 16:45:29 UTC
HMDB IDHMDB0001186
Secondary Accession Numbers
  • HMDB01186
Metabolite Identification
Common NameN1-Acetylspermine
DescriptionN1-Acetylspermine 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. N1-Acetylspermine exists in all living species, ranging from bacteria to humans. Outside of the human body, N1-Acetylspermine has been detected, but not quantified in several different foods, such as purple lavers, jutes, yams, pineapples, and fireweeds. This could make N1-acetylspermine a potential biomarker for the consumption of these foods. N1-Acetylspermine is a polyamine that has been postulated to be an intermediate in the conversion of spermine to spermidine.
Structure
Data?1582752182
Synonyms
ValueSource
N'-acetylspermineHMDB
N'-monoacetylspermineHMDB
N(1)-AcetylspermineHMDB
N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-acetamideHMDB
N-AcetylspermineHMDB
MonoacetylspermineHMDB
N1-MonoacetylspermineHMDB
N1-AcetylspermineChEBI
Chemical FormulaC12H28N4O
Average Molecular Weight244.3769
Monoisotopic Molecular Weight244.226311538
IUPAC NameN-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
Traditional NameN(1)-acetylspermine
CAS Registry Number25593-72-0
SMILES
CC(=O)NCCCNCCCCNCCCN
InChI Identifier
InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChI KeyGUNURVWAJRRUAV-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentAcetamides
Alternative Parents
Substituents
  • Acetamide
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Secondary aliphatic amine
  • Secondary amine
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available158.2http://allccs.zhulab.cn/database/detail?ID=AllCCS00002160
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.37 g/LALOGPS
logP10(-0.42) g/LALOGPS
logP10(-1.6) g/LChemAxon
logS10(-2.8) g/LALOGPS
pKa (Strongest Acidic)16.3ChemAxon
pKa (Strongest Basic)10.79ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area79.18 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity72 m³·mol⁻¹ChemAxon
Polarizability30.68 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+158.45231661259
DarkChem[M+H]+158.45231661259
DarkChem[M-H]-155.76431661259
DarkChem[M-H]-155.76431661259
AllCCS[M+H]+158.08632859911
AllCCS[M-H]-163.97232859911
DeepCCS[M+H]+156.11730932474
DeepCCS[M-H]-153.33830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N1-AcetylspermineCC(=O)NCCCNCCCCNCCCN3102.5Standard polar33892256
N1-AcetylspermineCC(=O)NCCCNCCCCNCCCN2481.9Standard non polar33892256
N1-AcetylspermineCC(=O)NCCCNCCCCNCCCN2299.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N1-Acetylspermine,1TMS,isomer #1CC(=O)NCCCNCCCCNCCCN[Si](C)(C)C2517.7Semi standard non polar33892256
N1-Acetylspermine,1TMS,isomer #1CC(=O)NCCCNCCCCNCCCN[Si](C)(C)C2550.9Standard non polar33892256
N1-Acetylspermine,1TMS,isomer #1CC(=O)NCCCNCCCCNCCCN[Si](C)(C)C3426.8Standard polar33892256
N1-Acetylspermine,1TMS,isomer #2CC(=O)N(CCCNCCCCNCCCN)[Si](C)(C)C2353.9Semi standard non polar33892256
N1-Acetylspermine,1TMS,isomer #2CC(=O)N(CCCNCCCCNCCCN)[Si](C)(C)C2424.6Standard non polar33892256
N1-Acetylspermine,1TMS,isomer #2CC(=O)N(CCCNCCCCNCCCN)[Si](C)(C)C3692.1Standard polar33892256
N1-Acetylspermine,1TMS,isomer #3CC(=O)NCCCN(CCCCNCCCN)[Si](C)(C)C2474.4Semi standard non polar33892256
N1-Acetylspermine,1TMS,isomer #3CC(=O)NCCCN(CCCCNCCCN)[Si](C)(C)C2384.3Standard non polar33892256
N1-Acetylspermine,1TMS,isomer #3CC(=O)NCCCN(CCCCNCCCN)[Si](C)(C)C3780.8Standard polar33892256
N1-Acetylspermine,1TMS,isomer #4CC(=O)NCCCNCCCCN(CCCN)[Si](C)(C)C2440.7Semi standard non polar33892256
N1-Acetylspermine,1TMS,isomer #4CC(=O)NCCCNCCCCN(CCCN)[Si](C)(C)C2386.9Standard non polar33892256
N1-Acetylspermine,1TMS,isomer #4CC(=O)NCCCNCCCCN(CCCN)[Si](C)(C)C3761.8Standard polar33892256
N1-Acetylspermine,2TMS,isomer #1CC(=O)N(CCCNCCCCNCCCN[Si](C)(C)C)[Si](C)(C)C2496.8Semi standard non polar33892256
N1-Acetylspermine,2TMS,isomer #1CC(=O)N(CCCNCCCCNCCCN[Si](C)(C)C)[Si](C)(C)C2709.2Standard non polar33892256
N1-Acetylspermine,2TMS,isomer #1CC(=O)N(CCCNCCCCNCCCN[Si](C)(C)C)[Si](C)(C)C2942.1Standard polar33892256
N1-Acetylspermine,2TMS,isomer #2CC(=O)NCCCN(CCCCNCCCN[Si](C)(C)C)[Si](C)(C)C2603.3Semi standard non polar33892256
N1-Acetylspermine,2TMS,isomer #2CC(=O)NCCCN(CCCCNCCCN[Si](C)(C)C)[Si](C)(C)C2622.1Standard non polar33892256
N1-Acetylspermine,2TMS,isomer #2CC(=O)NCCCN(CCCCNCCCN[Si](C)(C)C)[Si](C)(C)C3121.2Standard polar33892256
N1-Acetylspermine,2TMS,isomer #3CC(=O)NCCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C2609.1Semi standard non polar33892256
N1-Acetylspermine,2TMS,isomer #3CC(=O)NCCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C2620.4Standard non polar33892256
N1-Acetylspermine,2TMS,isomer #3CC(=O)NCCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C3120.7Standard polar33892256
N1-Acetylspermine,2TMS,isomer #4CC(=O)NCCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C2689.9Semi standard non polar33892256
N1-Acetylspermine,2TMS,isomer #4CC(=O)NCCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C2712.3Standard non polar33892256
N1-Acetylspermine,2TMS,isomer #4CC(=O)NCCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C3130.4Standard polar33892256
N1-Acetylspermine,2TMS,isomer #5CC(=O)N(CCCN(CCCCNCCCN)[Si](C)(C)C)[Si](C)(C)C2418.1Semi standard non polar33892256
N1-Acetylspermine,2TMS,isomer #5CC(=O)N(CCCN(CCCCNCCCN)[Si](C)(C)C)[Si](C)(C)C2564.8Standard non polar33892256
N1-Acetylspermine,2TMS,isomer #5CC(=O)N(CCCN(CCCCNCCCN)[Si](C)(C)C)[Si](C)(C)C3469.4Standard polar33892256
N1-Acetylspermine,2TMS,isomer #6CC(=O)N(CCCNCCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C2361.1Semi standard non polar33892256
N1-Acetylspermine,2TMS,isomer #6CC(=O)N(CCCNCCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C2560.9Standard non polar33892256
N1-Acetylspermine,2TMS,isomer #6CC(=O)N(CCCNCCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C3446.3Standard polar33892256
N1-Acetylspermine,2TMS,isomer #7CC(=O)NCCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C2508.2Semi standard non polar33892256
N1-Acetylspermine,2TMS,isomer #7CC(=O)NCCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C2514.7Standard non polar33892256
N1-Acetylspermine,2TMS,isomer #7CC(=O)NCCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C3542.4Standard polar33892256
N1-Acetylspermine,3TMS,isomer #1CC(=O)N(CCCN(CCCCNCCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2521.2Semi standard non polar33892256
N1-Acetylspermine,3TMS,isomer #1CC(=O)N(CCCN(CCCCNCCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2747.6Standard non polar33892256
N1-Acetylspermine,3TMS,isomer #1CC(=O)N(CCCN(CCCCNCCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2774.1Standard polar33892256
N1-Acetylspermine,3TMS,isomer #2CC(=O)N(CCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2505.2Semi standard non polar33892256
N1-Acetylspermine,3TMS,isomer #2CC(=O)N(CCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2740.9Standard non polar33892256
N1-Acetylspermine,3TMS,isomer #2CC(=O)N(CCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2767.3Standard polar33892256
N1-Acetylspermine,3TMS,isomer #3CC(=O)N(CCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2633.2Semi standard non polar33892256
N1-Acetylspermine,3TMS,isomer #3CC(=O)N(CCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2797.0Standard non polar33892256
N1-Acetylspermine,3TMS,isomer #3CC(=O)N(CCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2744.4Standard polar33892256
N1-Acetylspermine,3TMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2642.5Semi standard non polar33892256
N1-Acetylspermine,3TMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2710.9Standard non polar33892256
N1-Acetylspermine,3TMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2920.4Standard polar33892256
N1-Acetylspermine,3TMS,isomer #5CC(=O)NCCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2744.2Semi standard non polar33892256
N1-Acetylspermine,3TMS,isomer #5CC(=O)NCCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2742.2Standard non polar33892256
N1-Acetylspermine,3TMS,isomer #5CC(=O)NCCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2892.3Standard polar33892256
N1-Acetylspermine,3TMS,isomer #6CC(=O)NCCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2786.9Semi standard non polar33892256
N1-Acetylspermine,3TMS,isomer #6CC(=O)NCCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2745.7Standard non polar33892256
N1-Acetylspermine,3TMS,isomer #6CC(=O)NCCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2899.7Standard polar33892256
N1-Acetylspermine,3TMS,isomer #7CC(=O)N(CCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2440.1Semi standard non polar33892256
N1-Acetylspermine,3TMS,isomer #7CC(=O)N(CCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2657.2Standard non polar33892256
N1-Acetylspermine,3TMS,isomer #7CC(=O)N(CCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3266.5Standard polar33892256
N1-Acetylspermine,4TMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2591.6Semi standard non polar33892256
N1-Acetylspermine,4TMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2778.3Standard non polar33892256
N1-Acetylspermine,4TMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2694.7Standard polar33892256
N1-Acetylspermine,4TMS,isomer #2CC(=O)N(CCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2716.4Semi standard non polar33892256
N1-Acetylspermine,4TMS,isomer #2CC(=O)N(CCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2827.5Standard non polar33892256
N1-Acetylspermine,4TMS,isomer #2CC(=O)N(CCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2660.5Standard polar33892256
N1-Acetylspermine,4TMS,isomer #3CC(=O)N(CCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2723.0Semi standard non polar33892256
N1-Acetylspermine,4TMS,isomer #3CC(=O)N(CCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2828.8Standard non polar33892256
N1-Acetylspermine,4TMS,isomer #3CC(=O)N(CCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2659.4Standard polar33892256
N1-Acetylspermine,4TMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2851.8Semi standard non polar33892256
N1-Acetylspermine,4TMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2823.4Standard non polar33892256
N1-Acetylspermine,4TMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2790.7Standard polar33892256
N1-Acetylspermine,5TMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2839.0Semi standard non polar33892256
N1-Acetylspermine,5TMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2856.3Standard non polar33892256
N1-Acetylspermine,5TMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2604.1Standard polar33892256
N1-Acetylspermine,1TBDMS,isomer #1CC(=O)NCCCNCCCCNCCCN[Si](C)(C)C(C)(C)C2763.8Semi standard non polar33892256
N1-Acetylspermine,1TBDMS,isomer #1CC(=O)NCCCNCCCCNCCCN[Si](C)(C)C(C)(C)C2770.1Standard non polar33892256
N1-Acetylspermine,1TBDMS,isomer #1CC(=O)NCCCNCCCCNCCCN[Si](C)(C)C(C)(C)C3320.1Standard polar33892256
N1-Acetylspermine,1TBDMS,isomer #2CC(=O)N(CCCNCCCCNCCCN)[Si](C)(C)C(C)(C)C2581.7Semi standard non polar33892256
N1-Acetylspermine,1TBDMS,isomer #2CC(=O)N(CCCNCCCCNCCCN)[Si](C)(C)C(C)(C)C2623.2Standard non polar33892256
N1-Acetylspermine,1TBDMS,isomer #2CC(=O)N(CCCNCCCCNCCCN)[Si](C)(C)C(C)(C)C3617.3Standard polar33892256
N1-Acetylspermine,1TBDMS,isomer #3CC(=O)NCCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C2714.7Semi standard non polar33892256
N1-Acetylspermine,1TBDMS,isomer #3CC(=O)NCCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C2595.8Standard non polar33892256
N1-Acetylspermine,1TBDMS,isomer #3CC(=O)NCCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C3724.3Standard polar33892256
N1-Acetylspermine,1TBDMS,isomer #4CC(=O)NCCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C2702.7Semi standard non polar33892256
N1-Acetylspermine,1TBDMS,isomer #4CC(=O)NCCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C2598.1Standard non polar33892256
N1-Acetylspermine,1TBDMS,isomer #4CC(=O)NCCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C3697.6Standard polar33892256
N1-Acetylspermine,2TBDMS,isomer #1CC(=O)N(CCCNCCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2942.3Semi standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #1CC(=O)N(CCCNCCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3077.6Standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #1CC(=O)N(CCCNCCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2958.9Standard polar33892256
N1-Acetylspermine,2TBDMS,isomer #2CC(=O)NCCCN(CCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3090.5Semi standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #2CC(=O)NCCCN(CCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3009.9Standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #2CC(=O)NCCCN(CCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3089.6Standard polar33892256
N1-Acetylspermine,2TBDMS,isomer #3CC(=O)NCCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3087.2Semi standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #3CC(=O)NCCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3006.4Standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #3CC(=O)NCCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3089.1Standard polar33892256
N1-Acetylspermine,2TBDMS,isomer #4CC(=O)NCCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3140.0Semi standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #4CC(=O)NCCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3078.7Standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #4CC(=O)NCCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3083.8Standard polar33892256
N1-Acetylspermine,2TBDMS,isomer #5CC(=O)N(CCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2923.4Semi standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #5CC(=O)N(CCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2946.9Standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #5CC(=O)N(CCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3359.6Standard polar33892256
N1-Acetylspermine,2TBDMS,isomer #6CC(=O)N(CCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2859.4Semi standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #6CC(=O)N(CCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2947.5Standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #6CC(=O)N(CCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3341.1Standard polar33892256
N1-Acetylspermine,2TBDMS,isomer #7CC(=O)NCCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3007.2Semi standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #7CC(=O)NCCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2901.4Standard non polar33892256
N1-Acetylspermine,2TBDMS,isomer #7CC(=O)NCCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3426.3Standard polar33892256
N1-Acetylspermine,3TBDMS,isomer #1CC(=O)N(CCCN(CCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3248.9Semi standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #1CC(=O)N(CCCN(CCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3247.7Standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #1CC(=O)N(CCCN(CCCCNCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2984.4Standard polar33892256
N1-Acetylspermine,3TBDMS,isomer #2CC(=O)N(CCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3224.8Semi standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #2CC(=O)N(CCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3240.6Standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #2CC(=O)N(CCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2981.3Standard polar33892256
N1-Acetylspermine,3TBDMS,isomer #3CC(=O)N(CCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3293.1Semi standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #3CC(=O)N(CCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3302.8Standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #3CC(=O)N(CCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2943.6Standard polar33892256
N1-Acetylspermine,3TBDMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3405.1Semi standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3207.1Standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3074.2Standard polar33892256
N1-Acetylspermine,3TBDMS,isomer #5CC(=O)NCCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3423.8Semi standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #5CC(=O)NCCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3257.5Standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #5CC(=O)NCCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3032.4Standard polar33892256
N1-Acetylspermine,3TBDMS,isomer #6CC(=O)NCCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3451.6Semi standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #6CC(=O)NCCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3263.8Standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #6CC(=O)NCCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3035.0Standard polar33892256
N1-Acetylspermine,3TBDMS,isomer #7CC(=O)N(CCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3181.6Semi standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #7CC(=O)N(CCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3162.1Standard non polar33892256
N1-Acetylspermine,3TBDMS,isomer #7CC(=O)N(CCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3281.9Standard polar33892256
N1-Acetylspermine,4TBDMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3543.9Semi standard non polar33892256
N1-Acetylspermine,4TBDMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3400.6Standard non polar33892256
N1-Acetylspermine,4TBDMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3031.1Standard polar33892256
N1-Acetylspermine,4TBDMS,isomer #2CC(=O)N(CCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3593.7Semi standard non polar33892256
N1-Acetylspermine,4TBDMS,isomer #2CC(=O)N(CCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3472.7Standard non polar33892256
N1-Acetylspermine,4TBDMS,isomer #2CC(=O)N(CCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2973.5Standard polar33892256
N1-Acetylspermine,4TBDMS,isomer #3CC(=O)N(CCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3590.5Semi standard non polar33892256
N1-Acetylspermine,4TBDMS,isomer #3CC(=O)N(CCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3474.3Standard non polar33892256
N1-Acetylspermine,4TBDMS,isomer #3CC(=O)N(CCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2973.1Standard polar33892256
N1-Acetylspermine,4TBDMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3740.7Semi standard non polar33892256
N1-Acetylspermine,4TBDMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3442.7Standard non polar33892256
N1-Acetylspermine,4TBDMS,isomer #4CC(=O)NCCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3050.8Standard polar33892256
N1-Acetylspermine,5TBDMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3903.2Semi standard non polar33892256
N1-Acetylspermine,5TBDMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3595.9Standard non polar33892256
N1-Acetylspermine,5TBDMS,isomer #1CC(=O)N(CCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3024.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N1-Acetylspermine GC-MS (Non-derivatized) - 70eV, Positivesplash10-053u-9500000000-5c7387f6650bc2bf5ef82016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N1-Acetylspermine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0097-0960000000-75020060f674e61ca7f52012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-01ot-9500000000-f7fc690c89dd182bd5ee2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-001i-9100000000-1d31e6d5c8f815f68e8c2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-0002-0090000000-09b81054799f3b804bf72012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-00ba-0920000000-661cc70e5955c3a4423e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-0ik9-1900000000-99bd1a086e687629194d2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-0il0-5900000000-181066e0b9be9cd096442012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-001i-9300000000-0ab0b3f7fb3eb674343e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOFsplash10-00b9-0910000000-0ded9399ebe4b3d250732012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOFsplash10-0udi-0900000000-54a2cb1d413b63cacb962012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOFsplash10-03di-0900000000-2b9ff6380c30a974293f2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOFsplash10-0udi-1900000000-92a251b4b894d28948c12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOFsplash10-03di-0900000000-4a8af7c0a23d4640e59a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOFsplash10-0wc1-1910000000-df55bc991e81a351aaaa2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ , positive-QTOFsplash10-0002-0090000000-c97bc5d03865a29035da2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ , positive-QTOFsplash10-00ba-0920000000-661cc70e5955c3a4423e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ , positive-QTOFsplash10-0ik9-1900000000-99bd1a086e687629194d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ , positive-QTOFsplash10-0il0-5900000000-340f89e5c24ffe902e342017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N1-Acetylspermine LC-ESI-QQ , positive-QTOFsplash10-001i-9300000000-0ab0b3f7fb3eb674343e2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-Acetylspermine 10V, Positive-QTOFsplash10-0ufs-1590000000-3b92c9c12eeed92056792016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-Acetylspermine 20V, Positive-QTOFsplash10-0zi0-6940000000-dd6796510dad07a3448e2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-Acetylspermine 40V, Positive-QTOFsplash10-0a6u-9600000000-8cb20f3897cf13f35fdf2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-Acetylspermine 10V, Negative-QTOFsplash10-0006-1190000000-fdfc5d534abbe87c4ab32016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-Acetylspermine 20V, Negative-QTOFsplash10-0udl-5390000000-a40765d256460b16ca9d2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-Acetylspermine 40V, Negative-QTOFsplash10-052f-9100000000-2077f0d214e318d0356a2016-09-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
UrineDetected and Quantified0.02 (0.00-0.08) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.010 +/ 0.006 umol/mmol creatinineAdult (>18 years old)BothNot Available details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothLeukemia details
UrineDetected and Quantified0.239 +/- 0.123 umol/mmol creatinineAdult (>18 years old)BothLeukemia details
Associated Disorders and Diseases
Disease References
Leukemia
  1. 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 IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022474
KNApSAcK IDNot Available
Chemspider ID892
KEGG Compound IDC02567
BioCyc IDN1-ACETYLSPERMINE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID3369
PubChem Compound916
PDB IDNot Available
ChEBI ID17312
Food Biomarker OntologyNot Available
VMH IDN1SPRM
MarkerDB IDMDB00000306
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Fogel WA, Maslinski C: The FAD dependent amine oxidases in relation to developmental state of enterocyte. J Neural Transm Suppl. 1994;41:95-9. [PubMed:7931271 ]
  2. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Only showing the first 10 proteins. There are 29 proteins in total.

Enzymes

General function:
Involved in N-acetyltransferase activity
Specific function:
Enzyme which catalyzes the acetylation of polyamines. Substrate specificity: norspermidine > spermidine = spermine >> N(1)acetylspermine = putrescine.
Gene Name:
SAT2
Uniprot ID:
Q96F10
Molecular weight:
19154.905
General function:
Involved in N-acetyltransferase activity
Specific function:
Enzyme which catalyzes the acetylation of polyamines. Substrate specificity: norspermidine = spermidine >> spermine > N(1)-acetylspermine > putrescine. This highly regulated enzyme allows a fine attenuation of the intracellular concentration of polyamines. Also involved in the regulation of polyamine transport out of cells. Acts on 1,3-diaminopropane, 1,5-diaminopentane, putrescine, spermidine (forming N(1)- and N(8)-acetylspermidine), spermine, N(1)-acetylspermidine and N(8)-acetylspermidine.
Gene Name:
SAT1
Uniprot ID:
P21673
Molecular weight:
20023.8
General function:
Amino acid transport and metabolism
Specific function:
Flavoenzyme which catalyzes the oxidation of N(1)-acetylspermine to spermidine and is thus involved in the polyamine back-conversion. Can also oxidize N(1)-acetylspermidine to putrescine. Substrate specificity: N(1)-acetylspermine = N(1)-acetylspermidine > N(1),N(12)-diacylspermine >> spermine. Does not oxidize spermidine. Plays an important role in the regulation of polyamine intracellular concentration and has the potential to act as a determinant of cellular sensitivity to the antitumor polyamine analogs.
Gene Name:
PAOX
Uniprot ID:
Q6QHF9
Molecular weight:
55512.64
Reactions
N1-Acetylspermine + Oxygen + Water → Spermidine + Acetamidopropanal + Hydrogen peroxidedetails
General function:
Involved in oxidoreductase activity, acting on CH-OH group of donors
Specific function:
Not Available
Gene Name:
CHDH
Uniprot ID:
Q8NE62
Molecular weight:
65358.005
General function:
Involved in oxidoreductase activity
Specific function:
Not Available
Gene Name:
DMGDH
Uniprot ID:
Q9UI17
Molecular weight:
96810.135
General function:
Involved in spermine synthase activity
Specific function:
Catalyzes the production of spermine from spermidine and decarboxylated S-adenosylmethionine (dcSAM).
Gene Name:
SMS
Uniprot ID:
P52788
Molecular weight:
35278.2
General function:
Involved in oxidoreductase activity
Specific function:
Converts gamma-trimethylaminobutyraldehyde into gamma-butyrobetaine. Catalyzes the irreversible oxidation of a broad range of aldehydes to the corresponding acids in an NAD-dependent reaction.
Gene Name:
ALDH9A1
Uniprot ID:
P49189
Molecular weight:
56291.485
General function:
Involved in iron ion binding
Specific function:
Catalyzes the formation of L-carnitine from gamma-butyrobetaine.
Gene Name:
BBOX1
Uniprot ID:
O75936
Molecular weight:
44714.6
General function:
Involved in transferase activity, transferring pentosyl groups
Specific function:
Catalyzes the reversible phosphorylation of S-methyl-5'-thioadenosine (MTA) to adenine and 5-methylthioribose-1-phosphate. Involved in the breakdown of MTA, a major by-product of polyamine biosynthesis. Responsible for the first step in the methionine salvage pathway after MTA has been generated from S-adenosylmethionine. Has broad substrate specificity with 6-aminopurine nucleosides as preferred substrates.
Gene Name:
MTAP
Uniprot ID:
Q13126
Molecular weight:
31235.76
General function:
Involved in adenosylmethionine decarboxylase activity
Specific function:
Not Available
Gene Name:
AMD1
Uniprot ID:
P17707
Molecular weight:
21301.015

Only showing the first 10 proteins. There are 29 proteins in total.