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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:35 UTC
Update Date2021-09-14 15:29:56 UTC
HMDB IDHMDB0002089
Secondary Accession Numbers
  • HMDB02089
Metabolite Identification
Common NameN-Ribosylhistidine
DescriptionN tau-ribosylhistidine (His-R) is a histidine derivative found in the urine of histidinemic patients (histidinemia is an autosomal recessive metabolic disorder characterized by increased levels of histidine in blood, urine, and cerebrospinal fluid). The enzymes responsible for the formation of His-R are NAD (P) + nucleosidase [EC 3.2.2.5], nucleotide pyrophosphatase [EC 3.5.1.9] and 5'-nucleotidase [EC 3.1.3.5] (PMID: 2992472 ).
Structure
Data?1582752228
Synonyms
ValueSource
His-RHMDB, MeSH
N(Tau)-ribosylhistidineHMDB, MeSH
(2S)-2-Amino-3-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-4-yl}propanoateGenerator, HMDB
Chemical FormulaC11H17N3O6
Average Molecular Weight287.2692
Monoisotopic Molecular Weight287.111735291
IUPAC Name(2S)-2-amino-3-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-4-yl}propanoic acid
Traditional Namehis-R
CAS Registry Number98379-91-0
SMILES
N[C@@H](CC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O
InChI Identifier
InChI=1S/C11H17N3O6/c12-6(11(18)19)1-5-2-14(4-13-5)10-9(17)8(16)7(3-15)20-10/h2,4,6-10,15-17H,1,3,12H2,(H,18,19)/t6-,7+,8+,9+,10+/m0/s1
InChI KeyTTYCFBAOLXCFAB-VAPHQMJDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentHistidine and derivatives
Alternative Parents
Substituents
  • Histidine or derivatives
  • Imidazole ribonucleoside
  • Glycosyl compound
  • N-glycosyl compound
  • Alpha-amino acid
  • Pentose monosaccharide
  • L-alpha-amino acid
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Monosaccharide
  • N-substituted imidazole
  • Azole
  • Heteroaromatic compound
  • Imidazole
  • Tetrahydrofuran
  • Amino acid
  • Secondary alcohol
  • Carboxylic acid
  • Oxacycle
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Primary amine
  • Organic oxide
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Carbonyl group
  • Amine
  • Hydrocarbon derivative
  • Primary alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility20 g/LALOGPS
logP-3ALOGPS
logP-4.9ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)1.53ChemAxon
pKa (Strongest Basic)9.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area151.06 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity64.09 m³·mol⁻¹ChemAxon
Polarizability27.15 ųChemAxon
Number of Rings2ChemAxon
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]+165.71531661259
DarkChem[M-H]-163.74331661259
DeepCCS[M+H]+162.82330932474
DeepCCS[M-H]-160.42730932474
DeepCCS[M-2H]-194.330932474
DeepCCS[M+Na]+169.26130932474
AllCCS[M+H]+165.232859911
AllCCS[M+H-H2O]+162.032859911
AllCCS[M+NH4]+168.232859911
AllCCS[M+Na]+169.132859911
AllCCS[M-H]-164.532859911
AllCCS[M+Na-2H]-164.432859911
AllCCS[M+HCOO]-164.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-RibosylhistidineN[C@@H](CC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O3630.9Standard polar33892256
N-RibosylhistidineN[C@@H](CC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O2489.1Standard non polar33892256
N-RibosylhistidineN[C@@H](CC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O2743.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Ribosylhistidine,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@H](O)[C@@H]1O2704.7Semi standard non polar33892256
N-Ribosylhistidine,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@@H]1O2680.0Semi standard non polar33892256
N-Ribosylhistidine,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC(C[C@H](N)C(=O)O)=C12693.0Semi standard non polar33892256
N-Ribosylhistidine,1TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N12584.6Semi standard non polar33892256
N-Ribosylhistidine,1TMS,isomer #5C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1)C(=O)O2693.9Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O2609.0Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #10C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C2622.1Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #11C[Si](C)(C)N([C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1)C(=O)O)[Si](C)(C)C2768.5Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O2660.1Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C2629.5Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O2664.8Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N12589.1Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@@H]1O[Si](C)(C)C2632.5Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #7C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O2654.4Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N12592.4Semi standard non polar33892256
N-Ribosylhistidine,2TMS,isomer #9C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O2665.4Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O2586.2Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #10C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O2613.5Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O2720.7Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #12C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2604.7Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C12723.7Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1)N([Si](C)(C)C)[Si](C)(C)C2729.8Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C2573.9Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #3C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C2607.8Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2588.5Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #5C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O2647.1Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O2628.8Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O2729.0Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N12558.1Semi standard non polar33892256
N-Ribosylhistidine,3TMS,isomer #9C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C2610.4Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2544.3Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@@H]1O[Si](C)(C)C2693.3Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C2734.4Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2614.3Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #3C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C2614.5Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O2729.7Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #5C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O2619.0Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O2713.7Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C2705.3Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #8C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2590.3Semi standard non polar33892256
N-Ribosylhistidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1)N([Si](C)(C)C)[Si](C)(C)C2735.7Semi standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2622.8Semi standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2668.5Standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C2990.8Standard polar33892256
N-Ribosylhistidine,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O2748.9Semi standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O2751.8Standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O3119.5Standard polar33892256
N-Ribosylhistidine,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C2745.0Semi standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C2737.2Standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C3038.8Standard polar33892256
N-Ribosylhistidine,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2696.0Semi standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2786.3Standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3129.6Standard polar33892256
N-Ribosylhistidine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C2756.1Semi standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C2753.7Standard non polar33892256
N-Ribosylhistidine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C3049.9Standard polar33892256
N-Ribosylhistidine,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2780.9Semi standard non polar33892256
N-Ribosylhistidine,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2756.0Standard non polar33892256
N-Ribosylhistidine,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2897.8Standard polar33892256
N-Ribosylhistidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@H](O)[C@@H]1O2953.9Semi standard non polar33892256
N-Ribosylhistidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@@H]1O2928.7Semi standard non polar33892256
N-Ribosylhistidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC(C[C@H](N)C(=O)O)=C12931.1Semi standard non polar33892256
N-Ribosylhistidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N12845.2Semi standard non polar33892256
N-Ribosylhistidine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1)C(=O)O2951.8Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H]1O3095.3Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3101.1Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C3252.6Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3145.7Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3114.4Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O3175.2Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N13071.6Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C3100.8Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1)C(=O)O3160.4Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N13077.8Semi standard non polar33892256
N-Ribosylhistidine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O3164.6Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3271.2Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O3303.1Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[C@@H]1O3464.0Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3285.9Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C13461.1Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3416.7Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3263.0Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3293.5Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3295.9Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O3332.1Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1)C(=O)O3318.1Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H]1O3455.6Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N13243.7Semi standard non polar33892256
N-Ribosylhistidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3282.1Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3457.7Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C3635.4Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3619.5Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3463.9Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3460.4Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[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)C)=C2)[C@H](O)[C@@H]1O3619.5Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O3491.9Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3650.0Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3643.9Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3441.7Semi standard non polar33892256
N-Ribosylhistidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3624.9Semi standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3626.6Semi standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3495.5Standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C3423.8Standard polar33892256
N-Ribosylhistidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[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)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3807.8Semi standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[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)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3599.6Standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[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)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3463.7Standard polar33892256
N-Ribosylhistidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[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)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3805.8Semi standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[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)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3592.6Standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[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)C)=C2)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3407.9Standard polar33892256
N-Ribosylhistidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3818.5Semi standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3594.8Standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3464.7Standard polar33892256
N-Ribosylhistidine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3798.4Semi standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3606.4Standard non polar33892256
N-Ribosylhistidine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3414.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Ribosylhistidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0c03-9340000000-73a8b2e9cc938d75e44d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Ribosylhistidine GC-MS (4 TMS) - 70eV, Positivesplash10-03di-5931480000-4cb1f922181f0911e2b42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Ribosylhistidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Ribosylhistidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 10V, Positive-QTOFsplash10-0a4r-0970000000-759c0a607b1032d254162016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 20V, Positive-QTOFsplash10-0bt9-0900000000-41b17087fc81992d35db2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 40V, Positive-QTOFsplash10-0a4i-2900000000-f9d545c4e96bd470c45b2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 10V, Negative-QTOFsplash10-000i-1590000000-f70782e731781bde63ea2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 20V, Negative-QTOFsplash10-0udi-2920000000-13d9d67f4af4887824782016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 40V, Negative-QTOFsplash10-0uki-8900000000-1be5db599106844bf7a92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 10V, Negative-QTOFsplash10-000i-0970000000-fc274386b5c899448b972021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 20V, Negative-QTOFsplash10-0ly9-3910000000-46e62b12bfe2a748410f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 40V, Negative-QTOFsplash10-0cdi-7900000000-23583c1237b0c9d3c3d72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 10V, Positive-QTOFsplash10-052r-0940000000-e3080474d7b6074934322021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 20V, Positive-QTOFsplash10-01p9-0900000000-e2042ee8b69a08b06af32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Ribosylhistidine 40V, Positive-QTOFsplash10-03e9-7910000000-5eab11cb72a4d406d4ff2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.073 +/- 0.015 uMAdult (>18 years old)BothNormal details
UrineDetected and Quantified2.01 +/- 1.52 umol/mmol creatinineChildren (1-13 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified14.25 +/- 5.7 umol/mmol creatinineChildren (1-13 years old)BothHistidinemia details
Associated Disorders and Diseases
Disease References
Histidinemia
  1. Imamura I, Watanabe T, Sakamoto Y, Wakamiya T, Shiba T, Hase Y, Tsuruhara T, Wada H: N tau-Ribosylhistidine, a novel histidine derivative in urine of histidinemic patients. Isolation, structure, and tissue level. J Biol Chem. 1985 Sep 5;260(19):10528-30. [PubMed:4030756 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022840
KNApSAcK IDNot Available
Chemspider ID112711
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6481
PubChem Compound126923
PDB IDNot Available
ChEBI ID90055
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000375
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Imamura I, Watanabe T, Wada H: Formation of N tau-ribosylhistidine, a novel histidine derivative found in the urine in histidinemia, from histidine and NAD(P)+ catalyzed by an NAD(P)+ glycohydrolase system. Biochem Biophys Res Commun. 1985 Jul 31;130(2):501-7. [PubMed:2992472 ]