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Showing metabocard for L-Serine (HMDB0000187)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:20:01 UTC
HMDB IDHMDB0000187
Secondary Accession Numbers
  • HMDB0000589
  • HMDB00187
  • HMDB00589
  • HMDB0062263
  • HMDB62263
Metabolite Identification
Common NameL-Serine
DescriptionSerine (Ser) or L-serine 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. L-serine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Serine is found in all organisms ranging from bacteria to plants to animals. It is classified as a polar, uncharged (at physiological pH), aliphatic amino acid. In humans, serine is a nonessential amino acid that can be easily derived from glycine. A non-essential amino acid is an amino acid that can be synthesized from central metabolic pathway intermediates in humans and is not required in the diet. Like all the amino acid building blocks of protein and peptides, serine can become essential under certain conditions, and is thus important in maintaining health and preventing disease. L-Serine may be derived from four possible sources: dietary intake; biosynthesis from the glycolytic intermediate 3-phosphoglycerate; from glycine; and by protein and phospholipid degradation. Little data is available on the relative contributions of each of these four sources of l-serine to serine homoeostasis. It is very likely that the predominant source of l-serine will be very different in different tissues and during different stages of human development. In the biosynthetic pathway, the glycolytic intermediate 3-phosphoglycerate is converted into phosphohydroxypyruvate, in a reaction catalyzed by 3-phosphoglycerate dehydrogenase (3- PGDH; EC 1.1.1.95). Phosphohydroxypyruvate is metabolized to phosphoserine by phosphohydroxypyruvate aminotransferase (EC 2.6.1.52) and, finally, phosphoserine is converted into l-serine by phosphoserine phosphatase (PSP; EC 3.1.3.3). In liver tissue, the serine biosynthetic pathway is regulated in response to dietary and hormonal changes. Of the three synthetic enzymes, the properties of 3-PGDH and PSP are the best documented. Hormonal factors such as glucagon and corticosteroids also influence 3-PGDH and PSP activities in interactions dependent upon the diet. L-serine is the predominant source of one-carbon groups for the de novo synthesis of purine nucleotides and deoxythymidine monophosphate. It has long been recognized that, in cell cultures, L-serine is a conditional essential amino acid, because it cannot be synthesized in sufficient quantities to meet the cellular demands for its utilization. In recent years, L-serine and the products of its metabolism have been recognized not only to be essential for cell proliferation, but also to be necessary for specific functions in the central nervous system. The findings of altered levels of serine and glycine in patients with psychiatric disorders and the severe neurological abnormalities in patients with defects of L-serine synthesis underscore the importance of L-serine in brain development and function. (PMID 12534373 ).
Structure
Data?1582752115
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000187 (L-Serine)


  Mrv1652309272007392D          

  7  6  0  0  0  0            999 V2000
    0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.1344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000187 (L-Serine)

HMDB0000187
     RDKit          3D
L-Serine
 14 13  0  0  0  0  0  0  0  0999 V2000
   -0.4681    1.5652    0.0895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    0.1845    0.2765 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8900   -0.6832   -0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2576   -0.5221   -0.4961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330   -0.0111    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468    0.9983   -0.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9411   -1.2500    0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789    2.0923    0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019    1.8856   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136   -0.1073    1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029   -1.7362   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857   -0.3257   -1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5238   -0.7787    0.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7301   -1.3117    0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  1
  3 11  1  0
  3 12  1  0
  4 13  1  0
  7 14  1  0
M  END
Download

3D SDF for HMDB0000187 (L-Serine)


  Mrv1652309272007392D          

  7  6  0  0  0  0            999 V2000
    0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.1344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000187

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CO)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1

> <INCHI_KEY>
MTCFGRXMJLQNBG-REOHCLBHSA-N

> <FORMULA>
C3H7NO3

> <MOLECULAR_WEIGHT>
105.0926

> <EXACT_MASS>
105.042593095

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
9.386631521233841

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-3-hydroxypropanoic acid

> <ALOGPS_LOGP>
-3.42

> <JCHEM_LOGP>
-3.8877352328917727

> <ALOGPS_LOGS>
0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.166073878847005

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.033990015469951

> <JCHEM_PKA_STRONGEST_BASIC>
8.931303956589883

> <JCHEM_POLAR_SURFACE_AREA>
83.55

> <JCHEM_REFRACTIVITY>
22.040999999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.80e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-serine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000187 (L-Serine)

HMDB0000187
     RDKit          3D
L-Serine
 14 13  0  0  0  0  0  0  0  0999 V2000
   -0.4681    1.5652    0.0895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1285    0.1845    0.2765 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8900   -0.6832   -0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2576   -0.5221   -0.4961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330   -0.0111    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468    0.9983   -0.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9411   -1.2500    0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789    2.0923    0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019    1.8856   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136   -0.1073    1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6029   -1.7362   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857   -0.3257   -1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5238   -0.7787    0.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7301   -1.3117    0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  1
  3 11  1  0
  3 12  1  0
  4 13  1  0
  7 14  1  0
M  END
Download

PDB for HMDB0000187 (L-Serine)

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0       1.334   1.732   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334   0.192   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.667  -0.578   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.000  -0.578   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       0.000  -2.118   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -1.334   0.192   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.667  -0.578   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   12    0
END
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3D PDB for HMDB0000187 (L-Serine)

COMPND    HMDB0000187
HETATM    1  N1  UNL     1      -0.468   1.565   0.089  1.00  0.00           N  
HETATM    2  C1  UNL     1      -0.128   0.185   0.276  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.890  -0.683  -0.700  1.00  0.00           C  
HETATM    4  O1  UNL     1      -2.258  -0.522  -0.496  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.333  -0.011   0.170  1.00  0.00           C  
HETATM    6  O2  UNL     1       2.047   0.998  -0.057  1.00  0.00           O  
HETATM    7  O3  UNL     1       1.941  -1.250   0.309  1.00  0.00           O  
HETATM    8  H1  UNL     1      -0.079   2.092   0.913  1.00  0.00           H  
HETATM    9  H2  UNL     1      -0.002   1.886  -0.790  1.00  0.00           H  
HETATM   10  H3  UNL     1      -0.414  -0.107   1.313  1.00  0.00           H  
HETATM   11  H4  UNL     1      -0.603  -1.736  -0.653  1.00  0.00           H  
HETATM   12  H5  UNL     1      -0.686  -0.326  -1.737  1.00  0.00           H  
HETATM   13  H6  UNL     1      -2.524  -0.779   0.422  1.00  0.00           H  
HETATM   14  H7  UNL     1       2.730  -1.312   0.940  1.00  0.00           H  
CONECT    1    2    8    9
CONECT    2    3    5   10
CONECT    3    4   11   12
CONECT    4   13
CONECT    5    6    6    7
CONECT    7   14
END
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SMILES for HMDB0000187 (L-Serine)

N[C@@H](CO)C(O)=O
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INCHI for HMDB0000187 (L-Serine)

InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(2S)-2-Amino-3-hydroxypropanoic acidChEBI
(S)-(-)-SerineChEBI
(S)-2-Amino-3-hydroxypropanoic acidChEBI
(S)-alpha-Amino-beta-hydroxypropionic acidChEBI
(S)-SerineChEBI
beta-Hydroxy-L-alanineChEBI
beta-HydroxyalanineChEBI
L-(-)-SerineChEBI
L-2-Amino-3-hydroxypropionic acidChEBI
L-3-Hydroxy-2-aminopropionic acidChEBI
L-3-Hydroxy-alanineChEBI
L-SerChEBI
L-SerinChEBI
SChEBI
SerChEBI
SERINEChEBI
(2S)-2-Amino-3-hydroxypropanoateGenerator
(S)-2-Amino-3-hydroxypropanoateGenerator
(S)-a-Amino-b-hydroxypropionateGenerator
(S)-a-Amino-b-hydroxypropionic acidGenerator
(S)-alpha-Amino-beta-hydroxypropionateGenerator
(S)-Α-amino-β-hydroxypropionateGenerator
(S)-Α-amino-β-hydroxypropionic acidGenerator
b-Hydroxy-L-alanineGenerator
Β-hydroxy-L-alanineGenerator
b-HydroxyalanineGenerator
Β-hydroxyalanineGenerator
L-2-Amino-3-hydroxypropionateGenerator
L-3-Hydroxy-2-aminopropionateGenerator
(-)-SerineHMDB
(S)-2-Amino-3-hydroxy-propanoateHMDB
(S)-2-Amino-3-hydroxy-propanoic acidHMDB
(S)-b-Amino-3-hydroxypropionateHMDB
(S)-b-Amino-3-hydroxypropionic acidHMDB
(S)-beta-Amino-3-hydroxypropionateHMDB
(S)-beta-Amino-3-hydroxypropionic acidHMDB
2-Amino-3-hydroxypropanoateHMDB
2-Amino-3-hydroxypropanoic acidHMDB
3-Hydroxy-L-alanineHMDB
L SerineHMDB
(3R,3'r,6S)-4,5-DIDEHYDRO-5,6-dihydro-BETA,BETA-carotene-3,3'-diolHMDB
Bo-xanHMDB
e 161bHMDB
XanthophyllHMDB
(3R,3'r,6S)-4,5-DIDEHYDRO-5,6-dihydro-b,b-carotene-3,3'-diolHMDB
(3R,3'r,6S)-4,5-DIDEHYDRO-5,6-dihydro-β,β-carotene-3,3'-diolHMDB
Chemical FormulaC3H7NO3
Average Molecular Weight105.0926
Monoisotopic Molecular Weight105.042593095
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid
Traditional NameL-serine
CAS Registry Number56-45-1
SMILES
N[C@@H](CO)C(O)=O
InChI Identifier
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChI KeyMTCFGRXMJLQNBG-REOHCLBHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine 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 ParentSerine and derivatives
Alternative Parents
Substituents
  • Serine or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Beta-hydroxy acid
  • Hydroxy acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Primary amine
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Amine
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point228 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility425 mg/mLNot Available
LogP-3.07HANSCH,C ET AL. (1995)
Experimental Spectral Properties

Experimental Collision Cross Sections

PredictorAdduct TypeData SourceCCS Value (Å2)Reference
DeepCCS[M-H]-Baker136.66430932474
DeepCCS[M-H]-Astarita_neg133.730932474
AllCCS[M-H]-Not Available136.664http://allccs.zhulab.cn/database/detail?ID=AllCCS00001741
Predicted Molecular Properties
PropertyValueSource
Water Solubility480 g/LALOGPS
logP10(-3.4) g/LALOGPS
logP10(-3.9) g/LChemAxon
logS10(0.66) g/LALOGPS
pKa (Strongest Acidic)2.03ChemAxon
pKa (Strongest Basic)8.93ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area83.55 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity22.04 m³·mol⁻¹ChemAxon
Polarizability9.39 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+120.59831661259
DarkChem[M-H]-115.52831661259
AllCCS[M+H]+127.60632859911
AllCCS[M-H]-120.3232859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Serine,1TMS,#1C[Si](C)(C)OC[C@H](N)C(=O)O1208.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,1TMS,#2C[Si](C)(C)OC(=O)[C@@H](N)CO1132.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,1TMS,#3C[Si](C)(C)N[C@@H](CO)C(=O)O1262.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,2TMS,#1C[Si](C)(C)OC[C@H](N)C(=O)O[Si](C)(C)C1244.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,2TMS,#2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)O1320.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,2TMS,#3C[Si](C)(C)N[C@@H](CO)C(=O)O[Si](C)(C)C1293.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,2TMS,#4C[Si](C)(C)N([C@@H](CO)C(=O)O)[Si](C)(C)C1465.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,1TBDMS,#1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)O1460.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,1TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CO1384.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,1TBDMS,#3CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)O1525.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,2TBDMS,#1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C1697.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,2TBDMS,#2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O1772.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,2TBDMS,#3CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)O[Si](C)(C)C(C)(C)C1729.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Serine,2TBDMS,#4CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)O)[Si](C)(C)C(C)(C)C1906.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0udi-0940000000-59d5e0f76fd204be81102014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0udi-0980000000-ab49fc3ee88db87d1a162014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)splash10-0159-0900000000-8e169037bcbe1dcd5de82014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0uxr-0970000000-67271ed235e35c662db52014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-9540000000-1297bf302358bcf0f1c02014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-MS (3 TMS)splash10-0uxr-1790000000-caaa37778f5a4686f5f02014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine EI-B (Non-derivatized)splash10-0159-0900000000-ae4f860052c41e9ba7342017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine EI-B (Non-derivatized)splash10-0uxr-0590000000-ce32a8bfb64d16590b522017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Non-derivatized)splash10-0udi-0940000000-59d5e0f76fd204be81102017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Non-derivatized)splash10-0udi-0980000000-ab49fc3ee88db87d1a162017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Non-derivatized)splash10-0159-0900000000-8e169037bcbe1dcd5de82017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Non-derivatized)splash10-0uxr-0970000000-67271ed235e35c662db52017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-QQ (Non-derivatized)splash10-00dr-7966000000-7b5b37fd4ac8855481722017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-EI-TOF (Non-derivatized)splash10-00di-9540000000-1297bf302358bcf0f1c02017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Serine GC-MS (Non-derivatized)splash10-0uxr-1790000000-caaa37778f5a4686f5f02017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Serine GC-MS (Non-derivatized) - 70eV, Positivesplash10-06sl-9000000000-033631650075b940e0e22016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Serine GC-MS (2 TMS) - 70eV, Positivesplash10-0fkl-9420000000-ed7a327e1f071802a4dd2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Serine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Serine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0200-9000000000-dc5e2afcfab6026411802018-05-25Not AvailableView 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 2D NMR[1H, 1H]-TOCSY 2D NMR Spectrum (experimental)2012-12-04Wishart 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
  • Mitochondria
  • Peroxisome
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • All Tissues
  • Placenta
  • Prostate
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified62-161 uMNewborn (0-30 days old)Both
Normal
    • BC Children's Hos...
 details
BloodDetected and Quantified159.8 +/- 26.6 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified76-180 uMInfant (1 - 3 months old)Both
Normal
    • BC Children's Hos...
 details
BloodDetected and Quantified77-178 uMChildren (3 months - 6 years old)Both
Normal
    • BC Children's Hos...
 details
BloodDetected and Quantified71-181 uMChildren (6 - 18 years old)Both
Normal
    • BC Children's Hos...
 details
BloodDetected and Quantified173.2 +/- 51.3 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified70-140 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected and Quantified114.0 (95.0-133.0) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified134.0 +/- 38.0 uMNewborn (0-30 days old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified121.0 +/- 25.0 uMChildren (1-13 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified127.0 +/- 27.0 uMChildren (1-13 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified127-211 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified114.0 +/- 23.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified60-300 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified127.0 +/- 29.0 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified50-350 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified121.0 +/- 14.0 uMChildren (1-13 years old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified70-187 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified137.0 +/- 35.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified70-187 uMChildren (1-13 years old)Not SpecifiedNormal details
BloodDetected and Quantified142.0 +/- 35.0 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified25-57 uMChildren (1-13 years old)Not SpecifiedNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified74-448 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified70.3 +/- 19.6 uMAdult (>18 years old)MaleNormal details
BloodDetected and Quantified60.00-180.0 uMAdult (>18 years old)Both
Normal		 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified115.1 +/- 25.0 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified24-172 uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified50-200 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified99-395 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified143.3(129.3-161.6) uMChildren (1-13 uears old)Both
Normal		 details
BloodDetected and Quantified236.0 +/- 6.0 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified28.9 (20.7-37.0) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified24-44 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified17-41 uMNot SpecifiedNot SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified24.5 +/- 4.4 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified42 +/- 18 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified52.0 (25.0-105.0) uMInfant (0-1 year old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified42.4 +/- 15.1 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified28.1 +/- 4.7 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified30.2 +/- 3.8 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified56-103 uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified35-80 uMInfant (0-1 year old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified35-80 uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified35-80 uMInfant (0-1 year old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified20-40 uMChildren (1-13 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified41(24-59) uMChildren (1-13 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified44(26-63) uMInfant (0-1 year old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified52(31-74) uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified59(35-82) uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified32.8 +/- 8.6 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified25-61 uMChildren (0 - 10 years old)Both
Normal
    • BC Children's Hos...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified22-41 uMAdolescent (>11 years old)Both
Normal
    • BC Children's Hos...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified7.6 +/- 0.67 uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified220 +/- 170 nmol/g wet fecesAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified50 +/- 50 nmol/g wet fecesAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified7.77 +/- 4.10 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified8.91 +/- 9.17 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified10.0 +/- 6.21 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
SalivaDetected and Quantified10.8 +/- 1.3 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified6.8 +/- 2.4 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified28.1 +/- 60.9 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified15.1 +/- 10.0 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified40.8 +/- 17.9 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
SalivaDetected and Quantified10.7 +/- 4.8 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified31.7 +/- 24.5 uMAdult (>18 years old)Male
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified32.0 +/- 41.4 uMAdult (>18 years old)Both
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified38.79 +/- 21.03 uMAdult (>18 years old)FemaleNormal details
SweatDetected and Quantified580-3020 uMAdult (60 years old)Male
Normal		 details
SweatDetected and Quantified780 uMAdult (40 years old)Male
Normal		 details
SweatDetected but not QuantifiedNot QuantifiedAdult BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified32.19-145.5 umol/mmol creatinineNewborn (0-30 days old)BothNormal
    • López Hernández Y...
 details
UrineDetected and Quantified76.86 +/- 22.72 umol/mmol creatinineNewborn (0-30 days old)FemaleNormal
    • López Hernández Y...
 details
UrineDetected and Quantified79.08 +/- 29.96 umol/mmol creatinineNewborn (0-30 days old)MaleNormal
    • López Hernández Y...
 details
UrineDetected and Quantified19.0 (10.4-35.8) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified33.6 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified11.88-95.70 umol/mmol creatinineAdolescent (13-18 years old)Not SpecifiedNormal details
UrineDetected and Quantified10.97-61.084 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified19.04-47.60 umol/mmol creatinineAdult (>18 years old)BothNormal
    • David F. Putnam C...
 details
UrineDetected and Quantified2.04-507.03 umol/mmol creatinineInfant (0-1 year old)Not SpecifiedNormal details
UrineDetected and Quantified20-38 umol/mmol creatinineAdult (>18 years old)FemaleNormal details
UrineDetected and Quantified85.062 +/- 43.302 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Mordechai, Hien, ...
 details
UrineDetected and Quantified25.3 (11.6-53.4) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified33.83 umol/mmol creatinineAdult (>18 years old)MaleNormal
    • Shaykhutdinov RA,...
 details
UrineDetected and Quantified124.48 - 407.24 umol/mmol creatinineNewborn (0-30 days old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified58.00 - 279.03 umol/mmol creatinineInfant (1 - 6 months old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified69.53 - 196.16 umol/mmol creatinineInfant (6 months - <1 year old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified62.30 - 177.28 umol/mmol creatinineChildren (1 - 2 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified43.42 - 133.64 umol/mmol creatinineChildren (2 - 4 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified30.30 - 132.17 umol/mmol creatinineChildren (4 - 13 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified10.18 - 69.53 umol/mmol creatinineAdolescent (13 - 21 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified9.95 - 71.00 umol/mmol creatinineAdult (>21 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified32.13-221.60 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified7.9 +/- 2.6 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified8.8 +/- 1.8 umol/mmol creatinineInfant (1 - 6 months old)Both
Normal		 details
UrineDetected and Quantified8.8 +/- 2.2 umol/mmol creatinineInfant (6 months - <1 year old)Both
Normal		 details
UrineDetected and Quantified20-50 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified28.0389-327.648 umol/mmol creatinineInfant (0-1 year old)Not SpecifiedNormal details
UrineDetected and Quantified38.41-239.55 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified27.38 +/- 9.54 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified24.5 (12.3-50.2) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified180 (25.33-334.67) umol/mmol creatinineNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified8.9 +/- 4.6 umol/mmol creatinineChildren (1-13 years old)FemaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified30.0 +/- 13.6 umol/mmol creatinineAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified26.0 +/- 10.0 umol/mmol creatinineAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified20.25-145.36 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified28.5 (12.5-44.4) umol/mmol creatinineAdult (>18 years old)BothNormal
      Not Available
 details
UrineDetected and Quantified39-306 umol/mmol creatinineInfant (0-1 year old)Both
Normal		 details
UrineDetected and Quantified18-34 umol/mmol creatinineAdult (>18 years old)MaleNormal details
UrineDetected and Quantified74.67 +/- 37.74 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified31.6 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified79.5556 +/- 24.8501 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Mordechai, Hien, ...
 details
UrineDetected and Quantified248.73 +/- 180.90 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified440.93 +/- 260.04 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified610.52 +/- 327.87 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified17.31-86.54 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified135.3 (45.2) uMAdult (>18 years old)FemaleDown syndrome pregnancy details
BloodDetected and Quantified148.4 (52.2) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified92.4 +/- 29.9 uMChildren (1-13 years old)Both
Obesity
    • Metabolomics reve...
 details
BloodDetected and Quantified103.3 +/- 28.3 uMChildren (1-13 years old)Both
Obesity
    • Metabolomics reve...
 details
BloodDetected and Quantified56-63 uMAdolescent (13-18 years old)Both
3-Phosphoglycerate Dehydrogenase Deficiency		 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Lung cancer		 details
BloodDetected and Quantified104.0 (101.0-107.0) uMAdult (>18 years old)BothRefractory localization-related epilepsy (RLE) details
BloodDetected and Quantified140.0 (131.0-148.0) uMChildren (1-13 years old)BothJuvenile myoclonic epilepsy (JME) details
BloodDetected and Quantified118.06 +/- 37.23 uMAdult (>18 years old)Female
Pregnancy with fetuses with trisomy 18		 details
BloodDetected and Quantified132.03 +/- 50.64 uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified115.5 (23.8) uMAdult (>18 years old)FemaleEarly preeclampsia details
BloodDetected and Quantified150.3 (84.3) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified19 uMNewborn (0-30 days old)MaleNeu-Laxova Syndrome 1 details
BloodDetected and Quantified51 uMInfant (0-1 year old)MalePhosphoserine Aminotransferase Deficiency details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
BloodDetected and Quantified30 uMNewborn (0-30 days old)FemalePhosphoserine Aminotransferase Deficiency details
BloodDetected and Quantified29-55 uMInfant (0-1 year old)MalePhosphoserine Phosphatase Deficiency details
BloodDetected and Quantified53-80 uMChildren (1-13 years old)MalePhosphoserine Phosphatase Deficiency details
BloodDetected and Quantified18 uMChildren (1-13 years old)MalePhosphoserine Phosphatase Deficiency details
BloodDetected and Quantified50 uMNewborn (0-30 days old)MaleNeu-Laxova Syndrome 1 details
BloodDetected and Quantified197.9 +/- 46.4 uMAdult (>18 years old)BothSchizophrenia details
BloodDetected and Quantified75.47 (22.9) uMAdult (>18 years old)FemalePregnancy with fetus having congenital heart defect details
BloodDetected and Quantified77.55 (23.11) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified148.4 (103.4) uMAdult (>18 years old)FemaleLate-onset preeclampsia details
BloodDetected and Quantified158.6 (92.2) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified165.8(138.0-208.1) uMChildren (1-13 uears old)Both
Environmental enteric dysfunction		 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Schizophrenia		 details
BloodDetected and Quantified0.21 +/- 0.024 uMElderly (>65 years old)BothAlzheimer's disease details
BloodDetected and Quantified222.4 uMInfant (0-1 year old)Female
Sarcosinemia		 details
BloodDetected and Quantified263 uMInfant (0-1 year old)MaleFumaric aciduria details
BloodDetected and Quantified116-145 uMAdult (>18 years old)Male
Sarcosinemia		 details
BloodDetected and Quantified221.0 +/- 8.0 uMAdult (>18 years old)Both
Heart failure		 details
Cerebrospinal Fluid (CSF)Detected and Quantified28-32 uMAdult (>18 years old)Male
Sarcosinemia		 details
Cerebrospinal Fluid (CSF)Detected and Quantified9 uMAdolescent (13-18 years old)Male
3-Phosphoglycerate Dehydrogenase Deficiency		 details
Cerebrospinal Fluid (CSF)Detected and Quantified38.3 +/- 15.5 uMChildren (1-13 years old)Not SpecifiedLeukemia details
Cerebrospinal Fluid (CSF)Detected and Quantified31.9 +/- 8.8 uMChildren (1-13 years old)Not Specified
Leukemia		 details
Cerebrospinal Fluid (CSF)Detected and Quantified3 uMNewborn (0-30 days old)MaleNeu-Laxova Syndrome 1 details
Cerebrospinal Fluid (CSF)Detected and Quantified18 uMInfant (0-1 year old)MalePhosphoserine Aminotransferase Deficiency details
Cerebrospinal Fluid (CSF)Detected and Quantified5 uMNewborn (0-30 days old)FemalePhosphoserine Aminotransferase Deficiency details
Cerebrospinal Fluid (CSF)Detected and Quantified6 uMInfant (0-1 year old)MalePhosphoserine Phosphatase Deficiency details
Cerebrospinal Fluid (CSF)Detected and Quantified8 uMChildren (1-13 years old)MalePhosphoserine Phosphatase Deficiency details
Cerebrospinal Fluid (CSF)Detected and Quantified6-11 uMInfant (0-1 year old)Not SpecifiedSerine deficiency syndrome, infantile details
Cerebrospinal Fluid (CSF)Detected and Quantified7.5 +/- 0.87 uMAdult (>18 years old)BothSchizophrenia details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)BothAutism details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Cryptosporidium infection		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable bowel syndrome		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Ulcerative colitis		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)BothCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)BothUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUnclassified IBD details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
SalivaDetected and Quantified26.01 +/- 5.43 uMAdult (>18 years old)MaleAlzheimer's disease details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothOral cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleBreast cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedPancreatic cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedPeriodontal diseases details
SalivaDetected and Quantified23.41 +/- 14.42 uMAdult (>18 years old)MaleFrontotemporal lobe dementia details
SalivaDetected and Quantified21.55 +/- 1.41 uMAdult (>18 years old)BothLewy body disease details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
UrineDetected and Quantified93.066 +/- 81.705 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Mordechai, Hien, ...
 details
UrineDetected and Quantified0.0041 - 0.0122 umol/mmol creatinineAdult (>18 years old)BothADPKD details
UrineDetected and Quantified147.06 umol/mmol creatinineInfant (0-1 year old)Female
Sarcosinemia		 details
UrineDetected and Quantified341.600-735 umol/mmol creatinineInfant (0-1 year old)Not SpecifiedFumaric aciduria details
UrineDetected and Quantified38-77 umol/mmol creatinineAdult (>18 years old)Male
Sarcosinemia		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
UrineDetected and Quantified69.0205 +/- 26.7146 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Mordechai, Hien, ...
 details
UrineDetected and Quantified63.6702 +/- 49.05 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Gastroesophageal reflux disease
    • Mordechai, Hien, ...
 details
Associated Disorders and Diseases
Disease References
Refractory localization-related epilepsy
  1. Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. [PubMed:14992292 ]
Juvenile myoclonic epilepsy
  1. Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. [PubMed:14992292 ]
Alzheimer's disease
  1. Fonteh AN, Harrington RJ, Tsai A, Liao P, Harrington MG: Free amino acid and dipeptide changes in the body fluids from Alzheimer's disease subjects. Amino Acids. 2007 Feb;32(2):213-24. Epub 2006 Oct 10. [PubMed:17031479 ]
  2. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Heart failure
  1. Norrelund H, Wiggers H, Halbirk M, Frystyk J, Flyvbjerg A, Botker HE, Schmitz O, Jorgensen JO, Christiansen JS, Moller N: Abnormalities of whole body protein turnover, muscle metabolism and levels of metabolic hormones in patients with chronic heart failure. J Intern Med. 2006 Jul;260(1):11-21. [PubMed:16789974 ]
Schizophrenia
  1. Hashimoto K, Fukushima T, Shimizu E, Komatsu N, Watanabe H, Shinoda N, Nakazato M, Kumakiri C, Okada S, Hasegawa H, Imai K, Iyo M: Decreased serum levels of D-serine in patients with schizophrenia: evidence in support of the N-methyl-D-aspartate receptor hypofunction hypothesis of schizophrenia. Arch Gen Psychiatry. 2003 Jun;60(6):572-6. [PubMed:12796220 ]
  2. Do KQ, Lauer CJ, Schreiber W, Zollinger M, Gutteck-Amsler U, Cuenod M, Holsboer F: gamma-Glutamylglutamine and taurine concentrations are decreased in the cerebrospinal fluid of drug-naive patients with schizophrenic disorders. J Neurochem. 1995 Dec;65(6):2652-62. [PubMed:7595563 ]
  3. Yang J, Chen T, Sun L, Zhao Z, Qi X, Zhou K, Cao Y, Wang X, Qiu Y, Su M, Zhao A, Wang P, Yang P, Wu J, Feng G, He L, Jia W, Wan C: Potential metabolite markers of schizophrenia. Mol Psychiatry. 2013 Jan;18(1):67-78. doi: 10.1038/mp.2011.131. Epub 2011 Oct 25. [PubMed:22024767 ]
Lung Cancer
  1. Chen Y, Ma Z, Min L, Li H, Wang B, Zhong J, Dai L: Biomarker identification and pathway analysis by serum metabolomics of lung cancer. Biomed Res Int. 2015;2015:183624. doi: 10.1155/2015/183624. Epub 2015 Apr 16. [PubMed:25961003 ]
Early preeclampsia
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. doi: 10.3109/14767058.2012.680254. Epub 2012 Apr 28. [PubMed:22494326 ]
Pregnancy
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. doi: 10.3109/14767058.2012.680254. Epub 2012 Apr 28. [PubMed:22494326 ]
  2. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: First-trimester metabolomic detection of late-onset preeclampsia. Am J Obstet Gynecol. 2013 Jan;208(1):58.e1-7. doi: 10.1016/j.ajog.2012.11.003. Epub 2012 Nov 13. [PubMed:23159745 ]
  3. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomic analysis for first-trimester Down syndrome prediction. Am J Obstet Gynecol. 2013 May;208(5):371.e1-8. doi: 10.1016/j.ajog.2012.12.035. Epub 2013 Jan 8. [PubMed:23313728 ]
  4. Bahado-Singh RO, Akolekar R, Chelliah A, Mandal R, Dong E, Kruger M, Wishart DS, Nicolaides K: Metabolomic analysis for first-trimester trisomy 18 detection. Am J Obstet Gynecol. 2013 Jul;209(1):65.e1-9. doi: 10.1016/j.ajog.2013.03.028. Epub 2013 Mar 25. [PubMed:23535240 ]
  5. Bahado-Singh RO, Ertl R, Mandal R, Bjorndahl TC, Syngelaki A, Han B, Dong E, Liu PB, Alpay-Savasan Z, Wishart DS, Nicolaides KH: Metabolomic prediction of fetal congenital heart defect in the first trimester. Am J Obstet Gynecol. 2014 Sep;211(3):240.e1-240.e14. doi: 10.1016/j.ajog.2014.03.056. Epub 2014 Apr 1. [PubMed:24704061 ]
Late-onset preeclampsia
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: First-trimester metabolomic detection of late-onset preeclampsia. Am J Obstet Gynecol. 2013 Jan;208(1):58.e1-7. doi: 10.1016/j.ajog.2012.11.003. Epub 2012 Nov 13. [PubMed:23159745 ]
Sarcosinemia
  1. Sewell AC, Krille M, Wilhelm I: Sarcosinaemia in a retarded, amaurotic child. Eur J Pediatr. 1986 Feb;144(5):508-10. [PubMed:2420598 ]
  2. Benarrosh A, Garnotel R, Henry A, Arndt C, Gillery P, Motte J, Bakchine S: A young adult with sarcosinemia. No benefit from long duration treatment with memantine. JIMD Rep. 2013;9:93-96. doi: 10.1007/8904_2012_185. Epub 2012 Oct 21. [PubMed:23430553 ]
Fumarase deficiency
  1. Allegri G, Fernandes MJ, Scalco FB, Correia P, Simoni RE, Llerena JC Jr, de Oliveira ML: Fumaric aciduria: an overview and the first Brazilian case report. J Inherit Metab Dis. 2010 Aug;33(4):411-9. doi: 10.1007/s10545-010-9134-2. Epub 2010 Jun 15. [PubMed:20549362 ]
Obesity
  1. Simone Wahl, Christina Holzapfel, Zhonghao Yu, Michaela Breier, Ivan Kondofersky, Christiane Fuchs, Paula Singmann, Cornelia Prehn, Jerzy Adamski, Harald Grallert, Thomas Illig, Rui Wang-Sattler, Thomas Reinehr (2013). Metabolomics reveals determinants of weight loss during lifestyle intervention in obese children. Metabolomics.
Neu-Laxova Syndrome 1
  1. Shaheen R, Rahbeeni Z, Alhashem A, Faqeih E, Zhao Q, Xiong Y, Almoisheer A, Al-Qattan SM, Almadani HA, Al-Onazi N, Al-Baqawi BS, Saleh MA, Alkuraya FS: Neu-Laxova syndrome, an inborn error of serine metabolism, is caused by mutations in PHGDH. Am J Hum Genet. 2014 Jun 5;94(6):898-904. doi: 10.1016/j.ajhg.2014.04.015. Epub 2014 May 15. [PubMed:24836451 ]
  2. El-Hattab AW, Shaheen R, Hertecant J, Galadari HI, Albaqawi BS, Nabil A, Alkuraya FS: On the phenotypic spectrum of serine biosynthesis defects. J Inherit Metab Dis. 2016 May;39(3):373-381. doi: 10.1007/s10545-016-9921-5. Epub 2016 Mar 10. [PubMed:26960553 ]
Phosphoserine Aminotransferase Deficiency
  1. Hart CE, Race V, Achouri Y, Wiame E, Sharrard M, Olpin SE, Watkinson J, Bonham JR, Jaeken J, Matthijs G, Van Schaftingen E: Phosphoserine aminotransferase deficiency: a novel disorder of the serine biosynthesis pathway. Am J Hum Genet. 2007 May;80(5):931-7. Epub 2007 Mar 30. [PubMed:17436247 ]
Phosphoserine Phosphatase Deficiency
  1. Jaeken J, Detheux M, Van Maldergem L, Frijns JP, Alliet P, Foulon M, Carchon H, Van Schaftingen E: 3-Phosphoglycerate dehydrogenase deficiency and 3-phosphoserine phosphatase deficiency: inborn errors of serine biosynthesis. J Inherit Metab Dis. 1996;19(2):223-6. [PubMed:8739971 ]
Leukemia
  1. Peng CT, Wu KH, Lan SJ, Tsai JJ, Tsai FJ, Tsai CH: Amino acid concentrations in cerebrospinal fluid in children with acute lymphoblastic leukemia undergoing chemotherapy. Eur J Cancer. 2005 May;41(8):1158-63. Epub 2005 Apr 14. [PubMed:15911239 ]
3-Phosphoglycerate dehydrogenase deficiency
  1. Tabatabaie L, Klomp LW, Rubio-Gozalbo ME, Spaapen LJ, Haagen AA, Dorland L, de Koning TJ: Expanding the clinical spectrum of 3-phosphoglycerate dehydrogenase deficiency. J Inherit Metab Dis. 2011 Feb;34(1):181-4. doi: 10.1007/s10545-010-9249-5. Epub 2010 Nov 27. [PubMed:21113737 ]
Serine deficiency syndrome, infantile
  1. van der Crabben SN, Verhoeven-Duif NM, Brilstra EH, Van Maldergem L, Coskun T, Rubio-Gozalbo E, Berger R, de Koning TJ: An update on serine deficiency disorders. J Inherit Metab Dis. 2013 Jul;36(4):613-9. doi: 10.1007/s10545-013-9592-4. Epub 2013 Mar 6. [PubMed:23463425 ]
Irritable bowel syndrome
  1. Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
Ulcerative colitis
  1. Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
  2. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Colorectal cancer
  1. Weir TL, Manter DK, Sheflin AM, Barnett BA, Heuberger AL, Ryan EP: Stool microbiome and metabolome differences between colorectal cancer patients and healthy adults. PLoS One. 2013 Aug 6;8(8):e70803. doi: 10.1371/journal.pone.0070803. Print 2013. [PubMed:23940645 ]
  2. Ni Y, Xie G, Jia W: Metabonomics of human colorectal cancer: new approaches for early diagnosis and biomarker discovery. J Proteome Res. 2014 Sep 5;13(9):3857-70. doi: 10.1021/pr500443c. Epub 2014 Aug 14. [PubMed:25105552 ]
  3. 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 ]
  4. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  5. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
  6. Wang X, Wang J, Rao B, Deng L: Gut flora profiling and fecal metabolite composition of colorectal cancer patients and healthy individuals. Exp Ther Med. 2017 Jun;13(6):2848-2854. doi: 10.3892/etm.2017.4367. Epub 2017 Apr 20. [PubMed:28587349 ]
Autism
  1. De Angelis M, Piccolo M, Vannini L, Siragusa S, De Giacomo A, Serrazzanetti DI, Cristofori F, Guerzoni ME, Gobbetti M, Francavilla R: Fecal microbiota and metabolome of children with autism and pervasive developmental disorder not otherwise specified. PLoS One. 2013 Oct 9;8(10):e76993. doi: 10.1371/journal.pone.0076993. eCollection 2013. [PubMed:24130822 ]
Crohn's disease
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Perillyl alcohol administration for cancer treatment
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Pancreatic cancer
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Periodontal disease
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Frontotemporal dementia
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Lewy body disease
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Autosomal dominant polycystic kidney disease
  1. Gronwald W, Klein MS, Zeltner R, Schulze BD, Reinhold SW, Deutschmann M, Immervoll AK, Boger CA, Banas B, Eckardt KU, Oefner PJ: Detection of autosomal dominant polycystic kidney disease by NMR spectroscopic fingerprinting of urine. Kidney Int. 2011 Jun;79(11):1244-53. doi: 10.1038/ki.2011.30. Epub 2011 Mar 9. [PubMed:21389975 ]
Eosinophilic esophagitis
  1. (). Mordechai, Hien, and David S. Wishart. .
Associated OMIM IDs
DrugBank IDDB00133
Phenol Explorer Compound IDNot Available
FooDB IDFDB012739
KNApSAcK IDC00001393
Chemspider ID5736
KEGG Compound IDC00065
BioCyc IDSER
BiGG ID33717
Wikipedia LinkL-serine
METLIN ID5203
PubChem Compound5951
PDB IDNot Available
ChEBI ID17115
Food Biomarker OntologyNot Available
VMH IDSER_L
MarkerDB IDMDB00000089
Good Scents IDNot Available
References
Synthesis ReferenceQin, Wei-min; Cao, Fei; Zhou, Hua; Li, Zhen-jiang; Wei, Ping. Asymmetric synthesis of D- and L-serine with "Glycine equivalent" method. Huaxue Shiji (2005), 27(11), 643-644, 670.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Kaumeyer JF, Polazzi JO, Kotick MP: The mRNA for a proteinase inhibitor related to the HI-30 domain of inter-alpha-trypsin inhibitor also encodes alpha-1-microglobulin (protein HC). Nucleic Acids Res. 1986 Oct 24;14(20):7839-50. [PubMed:2430261 ]
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  6. Peng CT, Wu KH, Lan SJ, Tsai JJ, Tsai FJ, Tsai CH: Amino acid concentrations in cerebrospinal fluid in children with acute lymphoblastic leukemia undergoing chemotherapy. Eur J Cancer. 2005 May;41(8):1158-63. Epub 2005 Apr 14. [PubMed:15911239 ]
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  8. Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. [PubMed:14992292 ]
  9. Fontaine M, Porchet N, Largilliere C, Marrakchi S, Lhermitte M, Aubert JP, Degand P: Biochemical contribution to diagnosis and study of a new case of D-glyceric acidemia/aciduria. Clin Chem. 1989 Oct;35(10):2148-51. [PubMed:2551543 ]
  10. Furuya S, Watanabe M: Novel neuroglial and glioglial relationships mediated by L-serine metabolism. Arch Histol Cytol. 2003 May;66(2):109-21. [PubMed:12846552 ]
  11. Haas W, Grabe K, Geis C, Pach T, Stoll K, Fuchs M, Haberl B, Loy C: Recognition and invasion of human skin by Schistosoma mansoni cercariae: the key-role of L-arginine. Parasitology. 2002 Feb;124(Pt 2):153-67. [PubMed:11860033 ]
  12. Hashimoto K, Engberg G, Shimizu E, Nordin C, Lindstrom LH, Iyo M: Reduced D-serine to total serine ratio in the cerebrospinal fluid of drug naive schizophrenic patients. Prog Neuropsychopharmacol Biol Psychiatry. 2005 Jun;29(5):767-9. [PubMed:15939521 ]
  13. Castedo M, Ferri KF, Blanco J, Roumier T, Larochette N, Barretina J, Amendola A, Nardacci R, Metivier D, Este JA, Piacentini M, Kroemer G: Human immunodeficiency virus 1 envelope glycoprotein complex-induced apoptosis involves mammalian target of rapamycin/FKBP12-rapamycin-associated protein-mediated p53 phosphorylation. J Exp Med. 2001 Oct 15;194(8):1097-110. [PubMed:11602639 ]
  14. Liu T, Zhu E, Wang L, Okada T, Yamaguchi A, Okada N: Abnormal expression of Rb pathway-related proteins in salivary gland acinic cell carcinoma. Hum Pathol. 2005 Sep;36(9):962-70. [PubMed:16153458 ]
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  17. Mackie S, Aitken A: Novel brain 14-3-3 interacting proteins involved in neurodegenerative disease. FEBS J. 2005 Aug;272(16):4202-10. [PubMed:16098201 ]
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  19. Whittemore AS, Cirillo PM, Feldman D, Cohn BA: Prostate specific antigen levels in young adulthood predict prostate cancer risk: results from a cohort of Black and White Americans. J Urol. 2005 Sep;174(3):872-6; discussion 876. [PubMed:16093978 ]
  20. Schulz I, Zeitschel U, Rudolph T, Ruiz-Carrillo D, Rahfeld JU, Gerhartz B, Bigl V, Demuth HU, Rossner S: Subcellular localization suggests novel functions for prolyl endopeptidase in protein secretion. J Neurochem. 2005 Aug;94(4):970-9. [PubMed:16092940 ]
  21. de Koning TJ, Snell K, Duran M, Berger R, Poll-The BT, Surtees R: L-serine in disease and development. Biochem J. 2003 May 1;371(Pt 3):653-61. [PubMed:12534373 ]
  22. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Only showing the first 10 proteins. There are 20 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Serine--tRNA ligase, mitochondrial
General function:
Involved in nucleotide binding
Specific function:
Catalyzes the attachment of serine to tRNA(Ser). Is also able to aminoacylate tRNA(Sec) with serine, to form the misacylated tRNA L-seryl-tRNA(Sec), which will be further converted into selenocysteinyl-tRNA(Sec) (By similarity).
Gene Name:
SARS2
Uniprot ID:
Q9NP81
Molecular weight:
58029.805
Reactions
Adenosine triphosphate + L-Serine + tRNA(Ser) → Adenosine monophosphate + Pyrophosphate + L-seryl-tRNA(Ser)details
Adenosine triphosphate + L-Serine + tRNA(Sec) → Adenosine monophosphate + Pyrophosphate + L-seryl-tRNA(Sec)details
Adenosine triphosphate + L-Serine + tRNA(Ser) → Adenosine monophosphate + Pyrophosphate + L-Seryl-tRNA(Ser)details
Adenosine triphosphate + L-Serine + tRNA(Sec) → Adenosine monophosphate + Pyrophosphate + L-Seryl-tRNA(Sec)details
Enzyme Details
2. Serine--tRNA ligase, cytoplasmic
General function:
Involved in nucleotide binding
Specific function:
Catalyzes the attachment of serine to tRNA(Ser). Is also probably able to aminoacylate tRNA(Sec) with serine, to form the misacylated tRNA L-seryl-tRNA(Sec), which will be further converted into selenocysteinyl-tRNA(Sec).
Gene Name:
SARS
Uniprot ID:
P49591
Molecular weight:
58776.785
Reactions
Adenosine triphosphate + L-Serine + tRNA(Ser) → Adenosine monophosphate + Pyrophosphate + L-seryl-tRNA(Ser)details
Adenosine triphosphate + L-Serine + tRNA(Sec) → Adenosine monophosphate + Pyrophosphate + L-seryl-tRNA(Sec)details
Adenosine triphosphate + L-Serine + tRNA(Ser) → Adenosine monophosphate + Pyrophosphate + L-Seryl-tRNA(Ser)details
Adenosine triphosphate + L-Serine + tRNA(Sec) → Adenosine monophosphate + Pyrophosphate + L-Seryl-tRNA(Sec)details
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Zhang Y, Cui J, Zhang R, Wang Y, Hong M: A novel fibrinolytic serine protease from the polychaete Nereis (Neanthes) virens (Sars): purification and characterization. Biochimie. 2007 Jan;89(1):93-103. Epub 2006 Aug 22. [PubMed:16950556 ]
  4. Follis KE, York J, Nunberg JH: Serine-scanning mutagenesis studies of the C-terminal heptad repeats in the SARS coronavirus S glycoprotein highlight the important role of the short helical region. Virology. 2005 Oct 10;341(1):122-9. [PubMed:16081124 ]
  5. McClendon CL, Vaidehi N, Kam VW, Zhang D, Goddard WA 3rd: Fidelity of seryl-tRNA synthetase to binding of natural amino acids from HierDock first principles computations. Protein Eng Des Sel. 2006 May;19(5):195-203. Epub 2006 Mar 3. [PubMed:16517553 ]
Enzyme Details
3. L-serine dehydratase/L-threonine deaminase
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
SDS
Uniprot ID:
P20132
Molecular weight:
34625.105
Reactions
L-Serine → Pyruvic acid + Ammoniadetails
L-Serine → 2-Aminoacrylic acid + Waterdetails
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Velayudhan J, Jones MA, Barrow PA, Kelly DJ: L-serine catabolism via an oxygen-labile L-serine dehydratase is essential for colonization of the avian gut by Campylobacter jejuni. Infect Immun. 2004 Jan;72(1):260-8. [PubMed:14688104 ]
  4. Snell K, Walker DG: Regulation of hepatic L-serine dehydratase and L-serine-pyruvate aminotransferase in the developing neonatal rat. Biochem J. 1974 Dec;144(3):519-31. [PubMed:4377655 ]
  5. Wong HC, Lessie TG: Hydroxy amino acid metabolism in Pseudomonas cepacia: role of L-serine deaminase in dissimilation of serine, glycine, and threonine. J Bacteriol. 1979 Oct;140(1):240-5. [PubMed:500557 ]
Enzyme Details
4. Cystathionine beta-synthase
General function:
Involved in cysteine biosynthetic process from serine
Specific function:
Only known pyridoxal phosphate-dependent enzyme that contains heme. Important regulator of hydrogen sulfide, especially in the brain, utilizing cysteine instead of serine to catalyze the formation of hydrogen sulfide. Hydrogen sulfide is a gastratransmitter with signaling and cytoprotective effects such as acting as a neuromodulator in the brain to protect neurons against hypoxic injury (By similarity).
Gene Name:
CBS
Uniprot ID:
P35520
Molecular weight:
60586.05
Reactions
L-Serine + Homocysteine → L-Cystathionine + Waterdetails
L-Serine + Hydrogen sulfide → L-Cysteine + Waterdetails
L-Serine + Selenohomocysteine → Selenocystathionine + Waterdetails
References
  1. Sen S, Banerjee R: A pathogenic linked mutation in the catalytic core of human cystathionine beta-synthase disrupts allosteric regulation and allows kinetic characterization of a full-length dimer. Biochemistry. 2007 Apr 3;46(13):4110-6. Epub 2007 Mar 13. [PubMed:17352495 ]
  2. Qu K, Lee SW, Bian JS, Low CM, Wong PT: Hydrogen sulfide: neurochemistry and neurobiology. Neurochem Int. 2008 Jan;52(1-2):155-65. Epub 2007 Jun 8. [PubMed:17629356 ]
Enzyme Details
5. Serine--pyruvate aminotransferase
General function:
Involved in metabolic process
Specific function:
Not Available
Gene Name:
AGXT
Uniprot ID:
P21549
Molecular weight:
43009.535
Reactions
L-Serine + Pyruvic acid → Hydroxypyruvic acid + L-Alaninedetails
L-Serine + Glyoxylic acid → Hydroxypyruvic acid + Glycinedetails
References
  1. Ikushiro H, Islam MM, Tojo H, Hayashi H: Molecular characterization of membrane-associated soluble serine palmitoyltransferases from Sphingobacterium multivorum and Bdellovibrio stolpii. J Bacteriol. 2007 Aug;189(15):5749-61. Epub 2007 Jun 8. [PubMed:17557831 ]
  2. Cowart LA, Hannun YA: Selective substrate supply in the regulation of yeast de novo sphingolipid synthesis. J Biol Chem. 2007 Apr 20;282(16):12330-40. Epub 2007 Feb 23. [PubMed:17322298 ]
  3. Son JH, Yoo HH, Kim DH: Activation of de novo synthetic pathway of ceramides is responsible for the initiation of hydrogen peroxide-induced apoptosis in HL-60 cells. J Toxicol Environ Health A. 2007 Aug;70(15-16):1310-8. [PubMed:17654249 ]
  4. Yard BA, Carter LG, Johnson KA, Overton IM, Dorward M, Liu H, McMahon SA, Oke M, Puech D, Barton GJ, Naismith JH, Campopiano DJ: The structure of serine palmitoyltransferase; gateway to sphingolipid biosynthesis. J Mol Biol. 2007 Jul 27;370(5):870-86. Epub 2007 May 10. [PubMed:17559874 ]
Enzyme Details
6. Serine hydroxymethyltransferase, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Required to prevent uracil accumulation in mtDNA. Interconversion of serine and glycine. Associates with mitochondrial DNA.
Gene Name:
SHMT2
Uniprot ID:
P34897
Molecular weight:
54862.125
Reactions
5,10-Methylene-THF + Glycine + Water → Tetrahydrofolic acid + L-Serinedetails
L-Serine + 5,6,7,8-Tetrahydromethanopterin → 5,10-Methylenetetrahydromethanopterin + Glycine + Waterdetails
Enzyme Details
7. Serine hydroxymethyltransferase, cytosolic
General function:
Involved in catalytic activity
Specific function:
Interconversion of serine and glycine.
Gene Name:
SHMT1
Uniprot ID:
P34896
Molecular weight:
53082.18
Reactions
5,10-Methylene-THF + Glycine + Water → Tetrahydrofolic acid + L-Serinedetails
L-Serine + 5,6,7,8-Tetrahydromethanopterin → 5,10-Methylenetetrahydromethanopterin + Glycine + Waterdetails
Enzyme Details
8. Serine palmitoyltransferase 1
General function:
Involved in transferase activity, transferring nitrogenous groups
Specific function:
Serine palmitoyltransferase (SPT). The heterodimer formed with SPTLC2 or SPTLC3 constitutes the catalytic core. The composition of the serine palmitoyltransferase (SPT) complex determines the substrate preference. The SPTLC1-SPTLC2-SPTSSA complex shows a strong preference for C16-CoA substrate, while the SPTLC1-SPTLC3-SPTSSA isozyme uses both C14-CoA and C16-CoA as substrates, with a slight preference for C14-CoA. The SPTLC1-SPTLC2-SPTSSB complex shows a strong preference for C18-CoA substrate, while the SPTLC1-SPTLC3-SPTSSB isozyme displays an ability to use a broader range of acyl-CoAs, without apparent preference.
Gene Name:
SPTLC1
Uniprot ID:
O15269
Molecular weight:
52743.41
Reactions
Palmityl-CoA + L-Serine → Coenzyme A + 3-Dehydrosphinganine + CO(2)details
Palmityl-CoA + L-Serine → 3-Dehydrosphinganine + Coenzyme A + Carbon dioxidedetails
References
  1. Yard BA, Carter LG, Johnson KA, Overton IM, Dorward M, Liu H, McMahon SA, Oke M, Puech D, Barton GJ, Naismith JH, Campopiano DJ: The structure of serine palmitoyltransferase; gateway to sphingolipid biosynthesis. J Mol Biol. 2007 Jul 27;370(5):870-86. Epub 2007 May 10. [PubMed:17559874 ]
Enzyme Details
9. Phosphoserine phosphatase
General function:
Involved in catalytic activity
Specific function:
Catalyzes the last step in the biosynthesis of serine from carbohydrates. The reaction mechanism proceeds via the formation of a phosphoryl-enzyme intermediates.
Gene Name:
PSPH
Uniprot ID:
P78330
Molecular weight:
25007.49
Reactions
Phosphoserine + Water → L-Serine + Phosphatedetails
Enzyme Details
10. Serine palmitoyltransferase 2
General function:
Involved in transferase activity
Specific function:
Serine palmitoyltransferase (SPT). The heterodimer formed with LCB1/SPTLC1 constitutes the catalytic core. The composition of the serine palmitoyltransferase (SPT) complex determines the substrate preference. The SPTLC1-SPTLC2-SPTSSA complex shows a strong preference for C16-CoA substrate, while the SPTLC1-SPTLC2-SPTSSB complex displays a preference for C18-CoA substrate.
Gene Name:
SPTLC2
Uniprot ID:
O15270
Molecular weight:
62923.765
Reactions
Palmityl-CoA + L-Serine → Coenzyme A + 3-Dehydrosphinganine + CO(2)details
Palmityl-CoA + L-Serine → 3-Dehydrosphinganine + Coenzyme A + Carbon dioxidedetails
References
  1. Yard BA, Carter LG, Johnson KA, Overton IM, Dorward M, Liu H, McMahon SA, Oke M, Puech D, Barton GJ, Naismith JH, Campopiano DJ: The structure of serine palmitoyltransferase; gateway to sphingolipid biosynthesis. J Mol Biol. 2007 Jul 27;370(5):870-86. Epub 2007 May 10. [PubMed:17559874 ]

Transporters

Enzyme Details
1. Monocarboxylate transporter 10
General function:
Involved in transmembrane transport
Specific function:
Sodium-independent transporter that mediates the update of aromatic acid. Can function as a net efflux pathway for aromatic amino acids in the basosolateral epithelial cells
Gene Name:
SLC16A10
Uniprot ID:
Q8TF71
Molecular weight:
55492.1
References
  1. Kim DK, Kanai Y, Chairoungdua A, Matsuo H, Cha SH, Endou H: Expression cloning of a Na+-independent aromatic amino acid transporter with structural similarity to H+/monocarboxylate transporters. J Biol Chem. 2001 May 18;276(20):17221-8. Epub 2001 Feb 20. [PubMed:11278508 ]

Only showing the first 10 proteins. There are 20 proteins in total.

Show all enzymes and transporters