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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:48:59 UTC
HMDB IDHMDB0000177
Secondary Accession Numbers
  • HMDB0003412
  • HMDB00177
  • HMDB03412
Metabolite Identification
Common NameL-Histidine
DescriptionHistidine (His), also known as L-histidine, is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (-NH2) and carboxyl (-COOH) functional groups, along with a side chain (R group) specific to each amino acid. Histidine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Histidine is found in all organisms ranging from bacteria to plants to animals. It is classified as an aliphatic, positively charged or basic amino acid. Histidine is a unique amino acid with an imidazole functional group. The acid-base properties of the imidazole side chain are relevant to the catalytic mechanism of many enzymes such as proteases. In catalytic triads, the basic nitrogen of histidine abstracts a proton from serine, threonine, or cysteine to activate it as a nucleophile. In a histidine proton shuttle, histidine is used to quickly shuttle protons. It can do this by abstracting a proton with its basic nitrogen to make a positively charged intermediate and then use another molecule to extract the proton from its acidic nitrogen. Histidine forms complexes with many metal ions. The imidazole sidechain of the histidine residue commonly serves as a ligand in metalloproteins. Histidine was first isolated by German physician Albrecht Kossel in 1896. Histidine is an essential amino acid in humans and other mammals. It was initially thought that it was only essential for infants, but longer-term studies established that it is also essential for adults. Infants four to six months old require 33 mg/kg of histidine. It is not clear how adults make small amounts of histidine, and dietary sources probably account for most of the histidine in the body. Histidine is a precursor for histamine and carnosine biosynthesis. Inborn errors of histidine metabolism, including histidinemia, maple syrup urine disease, propionic acidemia, and tyrosinemia I, exist and are marked by increased histidine levels in the blood. Elevated blood histidine is accompanied by a wide range of symptoms, from mental and physical retardation to poor intellectual functioning, emotional instability, tremor, ataxia and psychosis. Histidine and other imidazole compounds have anti-oxidant, anti-inflammatory and anti-secretory properties (PMID: 9605177 ). The efficacy of L-histidine in protecting inflamed tissue is attributed to the capacity of the imidazole ring to scavenge reactive oxygen species (ROS) generated by cells during acute inflammatory response (PMID: 9605177 ). Histidine, when administered in therapeutic quantities is able to inhibit cytokines and growth factors involved in cell and tissue damage (US patent 6150392). Histidine in medical therapies has its most promising trials in rheumatoid arthritis where up to 4.5 g daily have been used effectively in severely affected patients. Arthritis patients have been found to have low serum histidine levels, apparently because of very rapid removal of histidine from their blood (PMID: 1079527 ). Other patients besides arthritis patients that have been found to be low in serum histidine are those with chronic renal failure. Urinary levels of histidine are reduced in pediatric patients with pneumonia (PMID: 2084459 ). Asthma patients exhibit increased serum levels of histidine over normal controls (PMID: 23517038 ). Serum histidine levels are lower and are negatively associated with inflammation and oxidative stress in obese women (PMID: 23361591 ). Histidine supplementation has been shown to reduce insulin resistance, reduce BMI and fat mass and suppress inflammation and oxidative stress in obese women with metabolic syndrome. Histidine appears to suppress pro-inflammatory cytokine expression, possibly via the NF-κB pathway, in adipocytes (PMID: 23361591 ). Low plasma concentrations of histidine are associated with protein-energy wasting, inflammation, oxidative stress, and greater mortality in chronic kidney disease patients (PMID: 18541578 ). Histidine may have many other possible functions because it is the precursor of the ubiquitous neurohormone-neurotransmitter histamine. Histidine increases histamine in the blood and probably in the brain. Low blood histamine with low serum histidine occurs in rheumatoid arthritis patients. Low blood histamine also occurs in some manic, schizophrenic, high copper and hyperactive groups of psychiatric patients. Histidine is a useful therapy in all patients with low histamine levels (http://www.dcnutrition.com).
Structure
Data?1582752115
Synonyms
ValueSource
(S)-4-(2-Amino-2-carboxyethyl)imidazoleChEBI
(S)-alpha-Amino-1H-imidazole-4-propanoic acidChEBI
(S)-alpha-Amino-1H-imidazole-4-propionic acidChEBI
HChEBI
HisChEBI
HISTIDINEChEBI
L-(-)-HistidineChEBI
L-HistidinChEBI
(S)-a-Amino-1H-imidazole-4-propanoateGenerator
(S)-a-Amino-1H-imidazole-4-propanoic acidGenerator
(S)-alpha-Amino-1H-imidazole-4-propanoateGenerator
(S)-Α-amino-1H-imidazole-4-propanoateGenerator
(S)-Α-amino-1H-imidazole-4-propanoic acidGenerator
(S)-a-Amino-1H-imidazole-4-propionateGenerator
(S)-a-Amino-1H-imidazole-4-propionic acidGenerator
(S)-alpha-Amino-1H-imidazole-4-propionateGenerator
(S)-Α-amino-1H-imidazole-4-propionateGenerator
(S)-Α-amino-1H-imidazole-4-propionic acidGenerator
(S)-1H-Imidazole-4-alanineHMDB
(S)-2-Amino-3-(4-imidazolyl)propionsaeureHMDB
(S)-HistidineHMDB
(S)1H-Imidazole-4-alanineHMDB
3-(1H-Imidazol-4-yl)-L-alanineHMDB
Amino-1H-imidazole-4-propanoateHMDB
Amino-1H-imidazole-4-propanoic acidHMDB
Amino-4-imidazoleproprionateHMDB
Amino-4-imidazoleproprionic acidHMDB
Glyoxaline-5-alanineHMDB
Histidine, L isomerHMDB
Histidine, L-isomerHMDB
L-Isomer histidineHMDB
L-HistidineKEGG
Chemical FormulaC6H9N3O2
Average Molecular Weight155.1546
Monoisotopic Molecular Weight155.069476547
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
Traditional NameL-histidine
CAS Registry Number71-00-1
SMILES
N[C@@H](CC1=CN=CN1)C(O)=O
InChI Identifier
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChI KeyHNDVDQJCIGZPNO-YFKPBYRVSA-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
  • Alpha-amino acid
  • L-alpha-amino acid
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Amino acid
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary amine
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point287 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility45.6 mg/mLNot Available
LogP-3.32CHMELIK,J ET AL. (1991)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Astarita_neg127.030932474
[M-H]-Baker130.1330932474
[M-H]-McLean130.31930932474
[M-H]-MetCCS_test_neg126.130932474
[M+H]+Astarita_pos126.730932474
[M+H]+Baker132.4130932474
[M+H]+McLean132.47530932474
[M+H]+MetCCS_test_pos131.88630932474
[M-H]-Not Available128.5http://allccs.zhulab.cn/database/detail?ID=AllCCS00000079
[M+H]+Not Available132.2http://allccs.zhulab.cn/database/detail?ID=AllCCS00000079
Predicted Molecular Properties
PropertyValueSource
Water Solubility71.3 g/LALOGPS
logP-2.7ALOGPS
logP-3.6ChemAxon
logS-0.34ALOGPS
pKa (Strongest Acidic)1.85ChemAxon
pKa (Strongest Basic)9.44ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area92 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity38.06 m³·mol⁻¹ChemAxon
Polarizability14.67 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]+133.84631661259
DarkChem[M-H]-131.45731661259
AllCCS[M+H]+134.44432859911
AllCCS[M-H]-129.32832859911
DeepCCS[M+H]+129.07130932474
DeepCCS[M+H]+125.24230932474
DeepCCS[M-H]-125.24330932474
DeepCCS[M-H]-121.58230932474
DeepCCS[M-2H]-162.77430932474
DeepCCS[M+Na]+138.31230932474
DeepCCS[M-2H]-158.92130932474
DeepCCS[M+Na]+134.0630932474
AllCCS[M+H]+134.432859911
AllCCS[M+H-H2O]+130.132859911
AllCCS[M+NH4]+138.532859911
AllCCS[M+Na]+139.632859911
AllCCS[M-H]-129.332859911
AllCCS[M+Na-2H]-130.732859911
AllCCS[M+HCOO]-132.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-HistidineN[C@@H](CC1=CN=CN1)C(O)=O2750.7Standard polar33892256
L-HistidineN[C@@H](CC1=CN=CN1)C(O)=O1650.4Standard non polar33892256
L-HistidineN[C@@H](CC1=CN=CN1)C(O)=O2131.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Histidine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C[NH]11694.1Semi standard non polar33892256
L-Histidine,1TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O1804.7Semi standard non polar33892256
L-Histidine,1TMS,isomer #3C[Si](C)(C)N1C=NC=C1C[C@H](N)C(=O)O1859.3Semi standard non polar33892256
L-Histidine,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C1778.3Semi standard non polar33892256
L-Histidine,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C1836.6Standard non polar33892256
L-Histidine,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C2385.1Standard polar33892256
L-Histidine,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C1856.5Semi standard non polar33892256
L-Histidine,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C1801.7Standard non polar33892256
L-Histidine,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C2504.8Standard polar33892256
L-Histidine,2TMS,isomer #3C[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C1911.9Semi standard non polar33892256
L-Histidine,2TMS,isomer #3C[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C1927.2Standard non polar33892256
L-Histidine,2TMS,isomer #3C[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C2536.1Standard polar33892256
L-Histidine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O1918.3Semi standard non polar33892256
L-Histidine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O1827.6Standard non polar33892256
L-Histidine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O2501.0Standard polar33892256
L-Histidine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C1938.6Semi standard non polar33892256
L-Histidine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C1959.4Standard non polar33892256
L-Histidine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C)[Si](C)(C)C2231.5Standard polar33892256
L-Histidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C1941.1Semi standard non polar33892256
L-Histidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C1856.2Standard non polar33892256
L-Histidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C2187.4Standard polar33892256
L-Histidine,3TMS,isomer #3C[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2065.9Semi standard non polar33892256
L-Histidine,3TMS,isomer #3C[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C1975.4Standard non polar33892256
L-Histidine,3TMS,isomer #3C[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2310.6Standard polar33892256
L-Histidine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2129.7Semi standard non polar33892256
L-Histidine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2011.6Standard non polar33892256
L-Histidine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2116.0Standard polar33892256
L-Histidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C[NH]11926.3Semi standard non polar33892256
L-Histidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O2025.1Semi standard non polar33892256
L-Histidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=NC=C1C[C@H](N)C(=O)O2140.1Semi standard non polar33892256
L-Histidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C2219.9Semi standard non polar33892256
L-Histidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C2293.0Standard non polar33892256
L-Histidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C2523.7Standard polar33892256
L-Histidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C(C)(C)C2356.2Semi standard non polar33892256
L-Histidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C(C)(C)C2258.0Standard non polar33892256
L-Histidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=CN1[Si](C)(C)C(C)(C)C2593.9Standard polar33892256
L-Histidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C2332.5Semi standard non polar33892256
L-Histidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C2369.5Standard non polar33892256
L-Histidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C2607.4Standard polar33892256
L-Histidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O2427.2Semi standard non polar33892256
L-Histidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O2276.5Standard non polar33892256
L-Histidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O2578.1Standard polar33892256
L-Histidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2588.3Semi standard non polar33892256
L-Histidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2584.0Standard non polar33892256
L-Histidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2487.9Standard polar33892256
L-Histidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2611.9Semi standard non polar33892256
L-Histidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2507.3Standard non polar33892256
L-Histidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2456.0Standard polar33892256
L-Histidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2745.5Semi standard non polar33892256
L-Histidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2591.8Standard non polar33892256
L-Histidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2528.2Standard polar33892256
L-Histidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2961.0Semi standard non polar33892256
L-Histidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2808.9Standard non polar33892256
L-Histidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2484.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0udi-0940000000-43b9b035189af65e19cb2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0udi-0910000000-fc3ecec9d4ff3aa8cb092014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-0udi-0910000000-8284a673a35f7ac2241f2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0fk9-8910000000-a3231b1a418b5798ecac2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-MS (3 TMS)splash10-0udi-1920000000-227e8116769731104e822014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-MS (4 TMS)splash10-0ufu-2942100000-31605fd50ecc1f5be0ed2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Non-derivatized)splash10-0udi-0940000000-43b9b035189af65e19cb2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Non-derivatized)splash10-0udi-0910000000-fc3ecec9d4ff3aa8cb092017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Non-derivatized)splash10-0udi-0910000000-8284a673a35f7ac2241f2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-QQ (Non-derivatized)splash10-0002-2901100000-ae0f3865934743de764c2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Non-derivatized)splash10-0fk9-8910000000-a3231b1a418b5798ecac2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-MS (Non-derivatized)splash10-0udi-1920000000-227e8116769731104e822017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-MS (Non-derivatized)splash10-0ufu-2942100000-31605fd50ecc1f5be0ed2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Non-derivatized)splash10-0ue9-0900000000-75e38a3f347210c301b02017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Histidine GC-EI-TOF (Non-derivatized)splash10-0udi-0910000000-c54bd92cc112eec7e5092017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9500000000-1d29684ccb63836878652016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidine GC-MS (1 TMS) - 70eV, Positivesplash10-03di-6900000000-1dd400a16b8067f4daea2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Histidine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-001i-9100000000-ae0a0b81669663b3b4a52018-05-25Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0a4i-0900000000-21530fac9975dc1edc7c2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-053r-9300000000-a946c375931adb366aae2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-053r-9000000000-61a3602d80bc0d54c5792012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0a4i-0900000000-7d63b501889c2628f4f02012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-001i-0900000000-d4ccd4e44ca818b4cb172012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0a4i-0900000000-811aee5724fe0999c1342012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0a4i-2900000000-052753eb699ae7cb4cb92012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0a4i-0900000000-3e145a05e6a71a0a2f562012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0a4i-0900000000-143a4b9d88183bc5abe72012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-03di-0900000000-a8c213472da676a241f22012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-001i-0900000000-dfdf9562f155abb5fdeb2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0uk9-0879331100-8434b5b9e7e5700c23532012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-000i-0900000000-aaaaadcecd4cd7c94e1e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0udi-0900000000-90c4cbd09d7abc0030132012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0udi-0900000000-1381708d18c24486773d2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0w29-0696321100-eb62fc608270d11517072012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-000i-0900000000-3450566ff38e6506a70f2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-01q9-7900000000-124509a66476629ce10a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0udi-0900000000-efa6a21b1be16fda08022012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-0udi-0900000000-137840e69da48c6114e42012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-0udu-3900000000-06d50e90c797793a72d72012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-0006-9100000000-de7c9eb8068ef4f39f852012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOFsplash10-00l6-9000000000-ebf778679d4c6d6a60572012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOFsplash10-014i-9000000000-08d0188684283d1b23722012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Histidine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-0a4i-0900000000-46c2f608d27f0381a0392012-08-31HMDB team, MONAView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
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 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2021-10-10Wishart 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
  • Extracellular
Biospecimen Locations
  • Blood
  • Breast Milk
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • All Tissues
  • Placenta
  • Prostate
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified75.0 +/- 20.0 uMNewborn (0-30 days old)Not SpecifiedNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified86.0 +/- 10.0 uMChildren (1-13 years old)MaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified89.0 +/- 11.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified83.0 +/- 14.0 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified143.1 +/- 27.3 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified32-107 uMNewborn (0-30 days old)Both
Normal
    • BC Children's Hos...
details
BloodDetected and Quantified20-83 uMInfant (1 - 3 months old)Both
Normal
    • BC Children's Hos...
details
BloodDetected and Quantified22-108 uMChildren (3 months - 6 years old)Both
Normal
    • BC Children's Hos...
details
BloodDetected and Quantified35-106 uMChildren (6 - 18 years old)Both
Normal
    • BC Children's Hos...
details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified124 (104-150) uMNewborn (0-30 days old)Not Available
Normal
details
BloodDetected and Quantified90 +/- 9 uMAdult (>18 years old)MaleNormal details
BloodDetected and Quantified86 +/- 9 uMAdult (>18 years old)FemaleNormal details
BloodDetected and Quantified106 (91.7-124) uMInfant (0-1 year old)Not Available
Normal
details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
BloodDetected and Quantified32.226 uMChildren (1 - 13 years old)Not Specified