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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-20 22:13:14 UTC
Update Date2023-02-21 17:15:48 UTC
HMDB IDHMDB0001645
Secondary Accession Numbers
  • HMDB01645
Metabolite Identification
Common NameL-Norleucine
DescriptionL-Norleucine, also known as L-aminohexanoate or caprine, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Thus, L-norleucine is considered to be a fatty acid lipid molecule. An unnatural amino acid that is used experimentally to study protein structure and function. L-Norleucine is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. L-Norleucine exists in all eukaryotes, ranging from yeast to humans. Outside of the human body, L-Norleucine has been detected, but not quantified in cow milk. This could make L-norleucine a potential biomarker for the consumption of these foods. It binds reversibly to the kringle domain of plasminogen and blocks the binding of plasminogen to fibrin and its activation to plasmin.
Structure
Data?1676999748
Synonyms
ValueSource
(S)-2-Aminohexanoic acidChEBI
2-Aminocaproic acidChEBI
2-Aminohexanoic acidChEBI
alpha-Aminocaproic acidChEBI
CaprineChEBI
GlycoleucineChEBI
L(+)-NorleucineChEBI
L-(+)-NorleucineChEBI
L-2-AminohexanoateChEBI
L-2-Aminohexanoic acidChEBI
L-AminohexanoateChEBI
L-Aminohexanoic acidChEBI
NleChEBI
NorleucineChEBI
(S)-2-AminohexanoateGenerator
2-AminocaproateGenerator
2-AminohexanoateGenerator
a-AminocaproateGenerator
a-Aminocaproic acidGenerator
alpha-AminocaproateGenerator
Α-aminocaproateGenerator
Α-aminocaproic acidGenerator
(S)-2-amino-HexanoateHMDB
(S)-2-amino-Hexanoic acidHMDB
(S)-AminohexanoateHMDB
(S)-Aminohexanoic acidHMDB
(S)-NorleucineHMDB
L-Isomer norleucineMeSH, HMDB
Norleucine, L isomerMeSH, HMDB
Norleucine, L-isomerMeSH, HMDB
2S-Amino-hexanoateGenerator, HMDB
Chemical FormulaC6H13NO2
Average Molecular Weight131.1729
Monoisotopic Molecular Weight131.094628665
IUPAC Name(2S)-2-aminohexanoic acid
Traditional Namecaprine
CAS Registry Number327-57-1
SMILES
CCCC[C@H](N)C(O)=O
InChI Identifier
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChI KeyLRQKBLKVPFOOQJ-YFKPBYRVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point234.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility12 mg/mL at 25 °CNot Available
LogP-1.53HANSCH,C ET AL. (1995)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Baker140.06730932474
[M-H]-MetCCS_train_neg129.02330932474
[M+H]+Baker142.63330932474
[M+H]+McLean136.130932474
[M-H]-Not Available134.5http://allccs.zhulab.cn/database/detail?ID=AllCCS00000046
[M+H]+Not Available138.4http://allccs.zhulab.cn/database/detail?ID=AllCCS00000046
Predicted Molecular Properties
PropertyValueSource
Water Solubility89.1 g/LALOGPS
logP-1.7ALOGPS
logP-1.4ChemAxon
logS-0.17ALOGPS
pKa (Strongest Acidic)2.79ChemAxon
pKa (Strongest Basic)9.53ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity34.22 m³·mol⁻¹ChemAxon
Polarizability14.46 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]+130.87931661259
DarkChem[M-H]-128.18531661259
AllCCS[M+H]+132.36932859911
AllCCS[M-H]-128.35532859911
DeepCCS[M+H]+128.7730932474
DeepCCS[M-H]-125.53130932474
DeepCCS[M-2H]-162.51630932474
DeepCCS[M+Na]+137.43530932474
AllCCS[M+H]+132.432859911
AllCCS[M+H-H2O]+128.232859911
AllCCS[M+NH4]+136.232859911
AllCCS[M+Na]+137.432859911
AllCCS[M-H]-128.432859911
AllCCS[M+Na-2H]-131.032859911
AllCCS[M+HCOO]-134.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-NorleucineCCCC[C@H](N)C(O)=O1996.0Standard polar33892256
L-NorleucineCCCC[C@H](N)C(O)=O1148.5Standard non polar33892256
L-NorleucineCCCC[C@H](N)C(O)=O1270.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Norleucine,1TMS,isomer #1CCCC[C@H](N)C(=O)O[Si](C)(C)C1198.1Semi standard non polar33892256
L-Norleucine,1TMS,isomer #2CCCC[C@H](N[Si](C)(C)C)C(=O)O1287.3Semi standard non polar33892256
L-Norleucine,2TMS,isomer #1CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1323.0Semi standard non polar33892256
L-Norleucine,2TMS,isomer #1CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1359.1Standard non polar33892256
L-Norleucine,2TMS,isomer #1CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1475.7Standard polar33892256
L-Norleucine,2TMS,isomer #2CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1454.7Semi standard non polar33892256
L-Norleucine,2TMS,isomer #2CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1393.3Standard non polar33892256
L-Norleucine,2TMS,isomer #2CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1636.2Standard polar33892256
L-Norleucine,3TMS,isomer #1CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1517.0Semi standard non polar33892256
L-Norleucine,3TMS,isomer #1CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1482.7Standard non polar33892256
L-Norleucine,3TMS,isomer #1CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1466.8Standard polar33892256
L-Norleucine,1TBDMS,isomer #1CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C1422.0Semi standard non polar33892256
L-Norleucine,1TBDMS,isomer #2CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O1517.6Semi standard non polar33892256
L-Norleucine,2TBDMS,isomer #1CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C1769.0Semi standard non polar33892256
L-Norleucine,2TBDMS,isomer #1CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C1759.6Standard non polar33892256
L-Norleucine,2TBDMS,isomer #1CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C1770.4Standard polar33892256
L-Norleucine,2TBDMS,isomer #2CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1882.1Semi standard non polar33892256
L-Norleucine,2TBDMS,isomer #2CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1820.2Standard non polar33892256
L-Norleucine,2TBDMS,isomer #2CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1845.4Standard polar33892256
L-Norleucine,3TBDMS,isomer #1CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2187.6Semi standard non polar33892256
L-Norleucine,3TBDMS,isomer #1CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2083.7Standard non polar33892256
L-Norleucine,3TBDMS,isomer #1CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1885.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)splash10-0a4i-0900000000-b9e660e9ed085e0a27562014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)splash10-0a4i-0900000000-363d31fc4a3b15b97b492014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-000i-9200000000-786e1c364f918e406c7f2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-0a4i-0900000000-7c99693c3cc849290ecd2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)splash10-05fr-8900000000-3cf84aa3585ea0262b9a2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-MS (1 TMS)splash10-000i-9200000000-d5ef9dd4b8be3c55a58f2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-MS (2 TMS)splash10-0a4i-0900000000-df2e472e3bd858c871d02014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-MS (3 TMS)splash10-001i-0391000000-a01428088011045cef832014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine EI-B (Non-derivatized)splash10-000i-9100000000-1fddf89f6ec7f4b5cfbe2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine EI-B (Non-derivatized)splash10-0a4i-0910000000-5eb6c8571ebbad86fac92017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Non-derivatized)splash10-0a4i-0900000000-b9e660e9ed085e0a27562017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Non-derivatized)splash10-0a4i-0900000000-363d31fc4a3b15b97b492017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Non-derivatized)splash10-000i-9200000000-786e1c364f918e406c7f2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-EI-TOF (Non-derivatized)splash10-05fr-8900000000-3cf84aa3585ea0262b9a2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-MS (Non-derivatized)splash10-0a4i-0900000000-df2e472e3bd858c871d02017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-MS (Non-derivatized)splash10-001i-0391000000-a01428088011045cef832017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Norleucine GC-MS (Non-derivatized)splash10-000i-9200000000-d5ef9dd4b8be3c55a58f2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Norleucine GC-MS (Non-derivatized) - 70eV, Positivesplash10-00bl-9000000000-201d4196a590a77910e62016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Norleucine GC-MS (1 TMS) - 70eV, Positivesplash10-00dl-9400000000-10c311ca7a06deeb972a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Norleucine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Norleucine 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 - L-Norleucine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-000i-9100000000-b124c751376d5dfa51a52012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00ku-9000000000-734efe7e83b2a5a46f002012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0006-9000000000-ac9b87f3b366d13101132012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-001i-0900000000-6cc58ea175a3d14928682012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-001i-0900000000-95aa6e4bfc42834399832012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-004i-3900000000-b75779678a92cd599f0c2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-0019-9800000000-ee386f888d7ea62be2552012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-000i-9000000000-93d53170f5b18b6e157c2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-00kr-9000000000-8abbc9ef83fc8fdd973c2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-0006-9000000000-39712cf46e67bc1458fb2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-0006-9000000000-219a42048a733f3d5a232012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOFsplash10-000i-9000000000-2d321cebc7950b90d6b12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Positive-QTOFsplash10-00kr-9200000000-916e946734d7c51678df2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOFsplash10-001i-0900000000-bc56a19fa8c09e2265432012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ , negative-QTOFsplash10-001i-0900000000-6cc58ea175a3d14928682017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ , negative-QTOFsplash10-001i-0900000000-95aa6e4bfc42834399832017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QQ , negative-QTOFsplash10-004i-3900000000-b75779678a92cd599f0c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine LC-ESI-QTOF , negative-QTOFsplash10-001i-0900000000-bc56a19fa8c09e2265432017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Norleucine , negative-QTOFsplash10-001i-0900000000-092c22a76d9d673f6ef92017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Norleucine 10V, Positive-QTOFsplash10-0019-9600000000-d20978980da1f4122a432016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Norleucine 20V, Positive-QTOFsplash10-000i-9000000000-e402468856ebe93f56322016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Norleucine 40V, Positive-QTOFsplash10-0a4l-9000000000-323f487cfafb31db8c072016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Norleucine 10V, Negative-QTOFsplash10-001i-1900000000-87cdc1a1d627629c2d672016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Norleucine 20V, Negative-QTOFsplash10-001i-6900000000-7bd938134b1765555ef22016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Norleucine 40V, Negative-QTOFsplash10-00di-9000000000-721ed018b3aaa7a7d07d2016-09-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H 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

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Platelet
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
UrineDetected and Quantified0.0065 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. 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 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022699
KNApSAcK IDC00053319
Chemspider ID19964
KEGG Compound IDC01933
BioCyc IDL-2-AMINOHEXANOATE
BiGG IDNot Available
Wikipedia LinkNorleucine
METLIN ID6334
PubChem Compound21236
PDB IDNot Available
ChEBI ID18347
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1253891
References
Synthesis ReferenceChibata, Ichiro; Kizumi, Masahiko; Sugiura, Masataka. Fermentative production of L-norleucine. Jpn. Kokai Tokkyo Koho (1977), 4 pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available