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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-12 20:38:19 UTC
Update Date2022-01-20 17:27:38 UTC
HMDB IDHMDB0003431
Secondary Accession Numbers
  • HMDB03431
Metabolite Identification
Common NameL-Histidinol
DescriptionL-Histidinol belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. L-Histidinol exists in all living species, ranging from bacteria to plants to humans. L-Histidinol has been detected, but not quantified in, several different foods, such as white mulberries (Morus alba), radish (var.), guaranas (Paullinia cupana), yardlong beans (Vigna unguiculata ssp. sesquipedalis), and dates (Phoenix dactylifera). This could make L-histidinol a potential biomarker for the consumption of these foods. L-Histidinol is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on L-Histidinol.
Structure
Data?1642699658
Synonyms
ValueSource
4-[(S)-2-Amino-3-hydroxypropyl]imidazoleChEBI
(S)-beta-amino-1H-Imidazole-4-propanolHMDB
HistidinolHMDB, MeSH
HSOHMDB
Imidazole C-4(5) deriv. 4HMDB
HistidolMeSH, HMDB
(2S)-2-Amino-3-(1H-imidazol-4-yl)propan-1-olHMDB
(S)-HistidinolHMDB
(betaS)-beta-Amino-1H-imidazole-5-propanolHMDB
(βS)-β-Amino-1H-imidazole-5-propanolHMDB
L-HistidinolHMDB
beta-Amino-1H-imidazole-5-propanolHMDB
β-Amino-1H-imidazole-5-propanolHMDB
Chemical FormulaC6H11N3O
Average Molecular Weight141.171
Monoisotopic Molecular Weight141.090211989
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
Traditional NameHSO
CAS Registry Number4836-52-6
SMILES
N[C@H](CO)CC1=CNC=N1
InChI Identifier
InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
InChI KeyZQISRDCJNBUVMM-YFKPBYRVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentAralkylamines
Alternative Parents
Substituents
  • Aralkylamine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • 1,2-aminoalcohol
  • Azacycle
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Primary amine
  • Primary alcohol
  • Organooxygen compound
  • Primary aliphatic amine
  • Alcohol
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

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]-MetCCS_train_neg126.11230932474
[M+H]+Baker130.930932474
[M+H]+MetCCS_train_pos128.27930932474
[M-H]-Not Available126.112http://allccs.zhulab.cn/database/detail?ID=AllCCS00000424
[M+H]+Not Available129.2http://allccs.zhulab.cn/database/detail?ID=AllCCS00000424
Predicted Molecular Properties
PropertyValueSource
Water Solubility129 g/LALOGPS
logP-1.1ALOGPS
logP-1.7ChemAxon
logS0ALOGPS
pKa (Strongest Acidic)13.45ChemAxon
pKa (Strongest Basic)9.41ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area74.93 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity38.19 m³·mol⁻¹ChemAxon
Polarizability14.74 ųChemAxon
Number of Rings1ChemAxon
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]+129.65231661259
DarkChem[M-H]-126.30431661259
DeepCCS[M+H]+127.87330932474
DeepCCS[M-H]-124.51830932474
DeepCCS[M-2H]-161.76830932474
DeepCCS[M+Na]+137.0130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-HistidinolN[C@H](CO)CC1=CNC=N12780.7Standard polar33892256
L-HistidinolN[C@H](CO)CC1=CNC=N11707.3Standard non polar33892256
L-HistidinolN[C@H](CO)CC1=CNC=N11758.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Histidinol,1TMS,isomer #1C[Si](C)(C)OC[C@@H](N)CC1=C[NH]C=N11604.9Semi standard non polar33892256
L-Histidinol,1TMS,isomer #2C[Si](C)(C)N[C@H](CO)CC1=C[NH]C=N11696.1Semi standard non polar33892256
L-Histidinol,1TMS,isomer #3C[Si](C)(C)N1C=NC(C[C@H](N)CO)=C11779.2Semi standard non polar33892256
L-Histidinol,2TMS,isomer #1C[Si](C)(C)N[C@H](CO[Si](C)(C)C)CC1=C[NH]C=N11720.5Semi standard non polar33892256
L-Histidinol,2TMS,isomer #1C[Si](C)(C)N[C@H](CO[Si](C)(C)C)CC1=C[NH]C=N11855.2Standard non polar33892256
L-Histidinol,2TMS,isomer #1C[Si](C)(C)N[C@H](CO[Si](C)(C)C)CC1=C[NH]C=N12209.7Standard polar33892256
L-Histidinol,2TMS,isomer #2C[Si](C)(C)OC[C@@H](N)CC1=CN([Si](C)(C)C)C=N11815.7Semi standard non polar33892256
L-Histidinol,2TMS,isomer #2C[Si](C)(C)OC[C@@H](N)CC1=CN([Si](C)(C)C)C=N11797.2Standard non polar33892256
L-Histidinol,2TMS,isomer #2C[Si](C)(C)OC[C@@H](N)CC1=CN([Si](C)(C)C)C=N12295.4Standard polar33892256
L-Histidinol,2TMS,isomer #3C[Si](C)(C)N([C@H](CO)CC1=C[NH]C=N1)[Si](C)(C)C1809.5Semi standard non polar33892256
L-Histidinol,2TMS,isomer #3C[Si](C)(C)N([C@H](CO)CC1=C[NH]C=N1)[Si](C)(C)C1918.4Standard non polar33892256
L-Histidinol,2TMS,isomer #3C[Si](C)(C)N([C@H](CO)CC1=C[NH]C=N1)[Si](C)(C)C2366.2Standard polar33892256
L-Histidinol,2TMS,isomer #4C[Si](C)(C)N[C@H](CO)CC1=CN([Si](C)(C)C)C=N11877.3Semi standard non polar33892256
L-Histidinol,2TMS,isomer #4C[Si](C)(C)N[C@H](CO)CC1=CN([Si](C)(C)C)C=N11738.6Standard non polar33892256
L-Histidinol,2TMS,isomer #4C[Si](C)(C)N[C@H](CO)CC1=CN([Si](C)(C)C)C=N12330.0Standard polar33892256
L-Histidinol,3TMS,isomer #1C[Si](C)(C)OC[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C1904.2Semi standard non polar33892256
L-Histidinol,3TMS,isomer #1C[Si](C)(C)OC[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C1971.4Standard non polar33892256
L-Histidinol,3TMS,isomer #1C[Si](C)(C)OC[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C2107.1Standard polar33892256
L-Histidinol,3TMS,isomer #2C[Si](C)(C)N[C@H](CO[Si](C)(C)C)CC1=CN([Si](C)(C)C)C=N11856.0Semi standard non polar33892256
L-Histidinol,3TMS,isomer #2C[Si](C)(C)N[C@H](CO[Si](C)(C)C)CC1=CN([Si](C)(C)C)C=N11867.0Standard non polar33892256
L-Histidinol,3TMS,isomer #2C[Si](C)(C)N[C@H](CO[Si](C)(C)C)CC1=CN([Si](C)(C)C)C=N12094.9Standard polar33892256
L-Histidinol,3TMS,isomer #3C[Si](C)(C)N([C@H](CO)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C1991.9Semi standard non polar33892256
L-Histidinol,3TMS,isomer #3C[Si](C)(C)N([C@H](CO)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C1950.0Standard non polar33892256
L-Histidinol,3TMS,isomer #3C[Si](C)(C)N([C@H](CO)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C2204.7Standard polar33892256
L-Histidinol,4TMS,isomer #1C[Si](C)(C)OC[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C2085.9Semi standard non polar33892256
L-Histidinol,4TMS,isomer #1C[Si](C)(C)OC[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C2007.1Standard non polar33892256
L-Histidinol,4TMS,isomer #1C[Si](C)(C)OC[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C2070.0Standard polar33892256
L-Histidinol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](N)CC1=C[NH]C=N11828.4Semi standard non polar33892256
L-Histidinol,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](CO)CC1=C[NH]C=N11911.2Semi standard non polar33892256
L-Histidinol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=NC(C[C@H](N)CO)=C12021.9Semi standard non polar33892256
L-Histidinol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CO[Si](C)(C)C(C)(C)C)CC1=C[NH]C=N12147.6Semi standard non polar33892256
L-Histidinol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CO[Si](C)(C)C(C)(C)C)CC1=C[NH]C=N12308.4Standard non polar33892256
L-Histidinol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](CO[Si](C)(C)C(C)(C)C)CC1=C[NH]C=N12374.5Standard polar33892256
L-Histidinol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N12268.4Semi standard non polar33892256
L-Histidinol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N12165.9Standard non polar33892256
L-Histidinol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N12415.0Standard polar33892256
L-Histidinol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@H](CO)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C2222.9Semi standard non polar33892256
L-Histidinol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@H](CO)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C2366.7Standard non polar33892256
L-Histidinol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@H](CO)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C2444.3Standard polar33892256
L-Histidinol,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](CO)CC1=CN([Si](C)(C)C(C)(C)C)C=N12341.9Semi standard non polar33892256
L-Histidinol,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](CO)CC1=CN([Si](C)(C)C(C)(C)C)C=N12175.1Standard non polar33892256
L-Histidinol,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](CO)CC1=CN([Si](C)(C)C(C)(C)C)C=N12431.8Standard polar33892256
L-Histidinol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2526.5Semi standard non polar33892256
L-Histidinol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2596.2Standard non polar33892256
L-Histidinol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2369.1Standard polar33892256
L-Histidinol,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](CO[Si](C)(C)C(C)(C)C)CC1=CN([Si](C)(C)C(C)(C)C)C=N12515.7Semi standard non polar33892256
L-Histidinol,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](CO[Si](C)(C)C(C)(C)C)CC1=CN([Si](C)(C)C(C)(C)C)C=N12477.0Standard non polar33892256
L-Histidinol,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](CO[Si](C)(C)C(C)(C)C)CC1=CN([Si](C)(C)C(C)(C)C)C=N12370.2Standard polar33892256
L-Histidinol,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@H](CO)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C2637.5Semi standard non polar33892256
L-Histidinol,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@H](CO)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C2541.0Standard non polar33892256
L-Histidinol,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@H](CO)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C2431.1Standard polar33892256
L-Histidinol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2898.1Semi standard non polar33892256
L-Histidinol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2775.1Standard non polar33892256
L-Histidinol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2429.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - L-Histidinol GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0udi-1970000000-5f8fce52ae008e9577d32014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidinol GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0udi-1960000000-2bd5915e1e2204265b302014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidinol GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-0udi-0960000000-04ea4478dfe81318bf5c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidinol GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0fk9-9540000000-9d5008be3cb2086af6f42014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidinol GC-EI-TOF (Non-derivatized)splash10-0udi-1970000000-5f8fce52ae008e9577d32017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidinol GC-EI-TOF (Non-derivatized)splash10-0udi-1960000000-2bd5915e1e2204265b302017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidinol GC-EI-TOF (Non-derivatized)splash10-0udi-0960000000-04ea4478dfe81318bf5c2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidinol GC-EI-TOF (Non-derivatized)splash10-0fk9-9540000000-9d5008be3cb2086af6f42017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidinol GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-5900000000-b7271e5101b1cf971b242016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidinol GC-MS (1 TMS) - 70eV, Positivesplash10-03e9-9800000000-eb7ec98ac413a4a5067d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidinol 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-Histidinol Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-006x-1900000000-c360dc1772243d0c7cca2012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-001i-9000000000-eba5a77ea4a62d8375f82012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-001i-9000000000-009922321d7904037f802012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-0006-0900000000-3a563827d1023d4dadd72012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-00e9-7900000000-4baa9781af4596ef1a492012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-001i-9000000000-98f4a65357b52f544e0c2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-001i-9000000000-5921f5ed9c6159fbe48e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-001i-9000000000-a7a82388a3feef7663622012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOFsplash10-0089-8900000000-b7fa72e4e20dbc5d79d22012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ , positive-QTOFsplash10-0006-0900000000-3a563827d1023d4dadd72017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ , positive-QTOFsplash10-00e9-7900000000-4baa9781af4596ef1a492017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ , positive-QTOFsplash10-001i-9000000000-98f4a65357b52f544e0c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ , positive-QTOFsplash10-001i-9000000000-5921f5ed9c6159fbe48e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QQ , positive-QTOFsplash10-001i-9000000000-128590ab44ecade57be82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol LC-ESI-QTOF , positive-QTOFsplash10-0089-8900000000-b7fa72e4e20dbc5d79d22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol 10V, Negative-QTOFsplash10-0006-0900000000-407552f60d560106c1a32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol 20V, Positive-QTOFsplash10-00di-0900000000-fdf0dfe513943a57b5ff2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol 20V, Negative-QTOFsplash10-052u-0900000000-c9d458943690ec68d5cc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidinol 10V, Positive-QTOFsplash10-00di-0900000000-bb10166bbd4c200cca412021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Histidinol 10V, Positive-QTOFsplash10-006x-0900000000-e19200b81166dd2ceb6c2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Histidinol 20V, Positive-QTOFsplash10-0abc-3900000000-8073bbe0237addc54c812016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Histidinol 40V, Positive-QTOFsplash10-0a5a-9300000000-a833e6da71592c915e872016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Histidinol 10V, Negative-QTOFsplash10-0006-1900000000-f2eb428fd58c551e9f842016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Histidinol 20V, Negative-QTOFsplash10-0596-9800000000-7dcca6b55761d69a3dc22016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Histidinol 40V, Negative-QTOFsplash10-000x-9100000000-4649be9a2b45a85f4de12016-09-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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
  • Prostate Tissue
Tissue Locations
  • Fibroblasts
  • Prostate
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Prostate TissueDetected and Quantified0.5 (0.0-1.0) umol/g tissueAdult (>18 years old)Both
Prostate Cancer
details
Associated Disorders and Diseases
Disease References
Prostate cancer
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023173
KNApSAcK IDC00007479
Chemspider ID144886
KEGG Compound IDC00860
BioCyc IDHISTIDINOL
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID3267
PubChem Compound165271
PDB IDNot Available
ChEBI ID16255
Food Biomarker OntologyNot Available
VMH IDHISTD
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceBeltra, A. P.; Bonete, P.; Gonzalez-Garcia, J.; Garcia-Garcia, V.; Montiel, V. Electrochemical synthesis of L-histidinol using solvated electrons. Journal of the Electrochemical Society (2005), 152(4), D65-D68.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  2. Raju RV, Datla RS, Warrington RC, Sharma RK: Effects of L-histidine and its structural analogues on human N-myristoyltransferase activity and importance of EEVEH amino acid sequence for enzyme activity. Biochemistry. 1998 Oct 20;37(42):14928-36. [PubMed:9778369 ]
  3. Warrington RC, Cheng I, Zhang L, Fang WD: L-histidinol increases the vulnerability of cultured human leukemia and lymphoma cells to anticancer drugs. Anticancer Res. 1993 Nov-Dec;13(6A):2107-12. [PubMed:8297120 ]
  4. Warrington RC, Norum JN, Hilchey JL, Watt C, Fang WD: A simple, informative, and quantitative flow cytometric method for assessing apoptosis in cultured cells. Prog Neuropsychopharmacol Biol Psychiatry. 2003 Apr;27(2):231-43. [PubMed:12657362 ]