Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.

Showing metabocard for Serotonin (HMDB0000259)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (26)transporters (1) Show 27 proteinsXML
enzymes (26)transporters (1) Show 27 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-11-15 21:04:29 UTC
HMDB IDHMDB0000259
Secondary Accession Numbers
  • HMDB00259
Metabolite Identification
Common NameSerotonin
DescriptionSerotonin or 5-hydroxytryptamine (5-HT) is a molecule that belongs to the class of compounds known as indoleamines. An indoleamine consists of an indole ring that bears an amino group or an alkyl amino group attached to the indole ring. Serotonin has an aminoethyl at position 2 and a hydroxyl group at position 5 of the indole ring. Serotonin exists in all living organisms, ranging from bacteria to plants to humans. In mammals, serotonin functions as a monoamine neurotransmitter, a biochemical messenger and regulator. It is synthesized from the essential amino acid L-Tryptophan. Approximately 90% of the human body's total serotonin is located in the enterochromaffin cells in the GI tract, where it regulates intestinal movements. About 8% is found in platelets and 1-2% in the CNS. Serotonin in the nervous system acts as a local transmitter at synapses, and as a paracrine or hormonal modulator of circuits upon diffusion, allowing a wide variety of "state-dependent" behavioral responses to different stimuli. Serotonin is widely distributed in the nervous system of vertebrates and invertebrates and some of its behavioral effects have been preserved along evolution. Such is the case of aggressive behavior and rhythmic motor patterns, including those responsible for feeding. In vertebrates, which display a wider and much more sophisticated behavioral repertoire, serotonin also modulates sleep, the arousal state, sexual behavior, and others. Deficiencies of the serotonergic system causes disorders such as depression, obsessive-compulsive disorder, phobias, posttraumatic stress disorder, epilepsy, and generalized anxiety disorder. Serotonin has three different modes of action in the nervous system: as transmitter, acting locally at synaptic boutons; upon diffusion at a distance from its release sites, producing paracrine (also called volume) effects, and by circulating in the blood stream, producing hormonal effects. The three modes can affect a single neuronal circuit. (PMID: 16047543 ). Serotonin is also a microbial metabolite that can be found in the feces and urine of mammals. Urinary serotonin is produced by Candida, Streptococcus, Escherichia, and Enterococcus (PMID: 24621061 ). In plants, serotonin was first found and reported in a legume called Mucuna pruriens. The greatest concentration of serotonin in plants has been found in walnuts and hickory. In pineapples, banana, kiwi fruit, plums and tomatoes the concentration of serotonin is around 3 to 30 mg/kg.
Structure
Data?1582752119
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000259 (Serotonin)


  Mrv1652311131919232D          

 13 14  0  0  0  0            999 V2000
    5.4222   -4.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7077   -4.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367   -3.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367   -4.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4222   -3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7077   -3.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9214   -3.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9214   -4.5546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4062   -3.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933   -3.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1762   -2.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833   -2.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2382   -1.4790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  8  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000259 (Serotonin)

HMDB0000259
     RDKit          3D
Serotonin
 25 26  0  0  0  0  0  0  0  0999 V2000
   -3.0826   -0.0724    0.8919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5437    0.7948   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098    0.0129   -1.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662   -0.7518   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611   -2.1027   -0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6569   -2.3629    0.1469 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618   -1.2199    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6437   -0.9342    0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0825    0.3738    0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2819    1.4021    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    2.6719    0.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0151    1.0777   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5473   -0.2182   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747    0.4419    1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3668   -0.2023    1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4081    1.2804   -0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9157    1.5971    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134   -0.6228   -1.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871    0.7480   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3673   -2.8149   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9713   -3.3188    0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2923   -1.7144    1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893    0.5561    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    3.4976   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.8809   -0.6682 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
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  4  1  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  5 20  1  0
  6 21  1  0
  8 22  1  0
  9 23  1  0
 11 24  1  0
 12 25  1  0
M  END
Download

3D SDF for HMDB0000259 (Serotonin)


  Mrv1652311131919232D          

 13 14  0  0  0  0            999 V2000
    5.4222   -4.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7077   -4.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367   -3.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367   -4.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4222   -3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7077   -3.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9214   -3.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9214   -4.5546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4062   -3.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933   -3.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1762   -2.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833   -2.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2382   -1.4790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  8  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000259

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCC1=CNC2=C1C=C(O)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

> <INCHI_KEY>
QZAYGJVTTNCVMB-UHFFFAOYSA-N

> <FORMULA>
C10H12N2O

> <MOLECULAR_WEIGHT>
176.2151

> <EXACT_MASS>
176.094963016

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
19.313416912562396

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(2-aminoethyl)-1H-indol-5-ol

> <ALOGPS_LOGP>
0.56

> <JCHEM_LOGP>
0.48154800923293156

> <ALOGPS_LOGS>
-1.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
18.223535339159515

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.314034178077875

> <JCHEM_PKA_STRONGEST_BASIC>
10.004289627293197

> <JCHEM_POLAR_SURFACE_AREA>
62.040000000000006

> <JCHEM_REFRACTIVITY>
52.3538

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.50e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
serotonin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000259 (Serotonin)

HMDB0000259
     RDKit          3D
Serotonin
 25 26  0  0  0  0  0  0  0  0999 V2000
   -3.0826   -0.0724    0.8919 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5437    0.7948   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098    0.0129   -1.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6662   -0.7518   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611   -2.1027   -0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6569   -2.3629    0.1469 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618   -1.2199    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6437   -0.9342    0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0825    0.3738    0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2819    1.4021    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    2.6719    0.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0151    1.0777   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5473   -0.2182   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747    0.4419    1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3668   -0.2023    1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4081    1.2804   -0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9157    1.5971    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134   -0.6228   -1.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871    0.7480   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3673   -2.8149   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9713   -3.3188    0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2923   -1.7144    1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893    0.5561    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    3.4976   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.8809   -0.6682 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
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  4  1  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  5 20  1  0
  6 21  1  0
  8 22  1  0
  9 23  1  0
 11 24  1  0
 12 25  1  0
M  END
Download

PDB for HMDB0000259 (Serotonin)

HEADER    PROTEIN                                 13-NOV-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-NOV-19         0                                  
HETATM    1  C   UNK     0      10.121  -8.796   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.788  -8.026   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.455  -6.486   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.455  -8.026   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.121  -5.716   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.788  -6.486   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.920  -6.010   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      12.920  -8.502   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      13.825  -7.256   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.454  -5.716   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      13.396  -4.546   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.902  -4.225   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      15.378  -2.761   0.000  0.00  0.00           N+0
CONECT    1    2    4                                                       
CONECT    2    1    6                                                       
CONECT    3    7    4    5                                                  
CONECT    4    1    3    8                                                  
CONECT    5    3    6                                                       
CONECT    6    5    2   10                                                  
CONECT    7    3    9   11                                                  
CONECT    8    4    9                                                       
CONECT    9    7    8                                                       
CONECT   10    6                                                            
CONECT   11    7   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   28    0
END
Download

3D PDB for HMDB0000259 (Serotonin)

COMPND    HMDB0000259
HETATM    1  N1  UNL     1      -3.083  -0.072   0.892  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.544   0.795  -0.140  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.810   0.013  -1.206  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.666  -0.752  -0.637  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.561  -2.103  -0.369  1.00  0.00           C  
HETATM    6  N2  UNL     1       0.657  -2.363   0.147  1.00  0.00           N  
HETATM    7  C5  UNL     1       1.362  -1.220   0.227  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.644  -0.934   0.678  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.083   0.374   0.630  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.282   1.402   0.147  1.00  0.00           C  
HETATM   11  O1  UNL     1       2.807   2.672   0.139  1.00  0.00           O  
HETATM   12  C9  UNL     1       1.015   1.078  -0.291  1.00  0.00           C  
HETATM   13  C10 UNL     1       0.547  -0.218  -0.257  1.00  0.00           C  
HETATM   14  H1  UNL     1      -3.875   0.442   1.343  1.00  0.00           H  
HETATM   15  H2  UNL     1      -2.367  -0.202   1.668  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.408   1.280  -0.644  1.00  0.00           H  
HETATM   17  H4  UNL     1      -1.916   1.597   0.264  1.00  0.00           H  
HETATM   18  H5  UNL     1      -2.513  -0.623  -1.748  1.00  0.00           H  
HETATM   19  H6  UNL     1      -1.387   0.748  -1.918  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.367  -2.815  -0.563  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.971  -3.319   0.428  1.00  0.00           H  
HETATM   22  H9  UNL     1       3.292  -1.714   1.061  1.00  0.00           H  
HETATM   23  H10 UNL     1       4.089   0.556   0.991  1.00  0.00           H  
HETATM   24  H11 UNL     1       2.354   3.498  -0.176  1.00  0.00           H  
HETATM   25  H12 UNL     1       0.393   1.881  -0.668  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3   16   17
CONECT    3    4   18   19
CONECT    4    5    5   13
CONECT    5    6   20
CONECT    6    7   21
CONECT    7    8    8   13
CONECT    8    9   22
CONECT    9   10   10   23
CONECT   10   11   12
CONECT   11   24
CONECT   12   13   13   25
END
Download

SMILES for HMDB0000259 (Serotonin)

NCCC1=CNC2=C1C=C(O)C=C2
Download

INCHI for HMDB0000259 (Serotonin)

InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
3-(2-Aminoethyl)-1H-indol-5-olChEBI
5-HTChEBI
5-HydroxytryptamineChEBI
EnteramineChEBI
SerotonineChEBI
ThrombocytinChEBI
ThrombotoninChEBI
HippophaineHMDB
HydroxytryptamineHMDB
5 HydroxytryptamineHMDB
3-(2-Aminoethyl)indol-5-olHMDB
3-(b-Aminoethyl)-5-hydroxyindoleHMDB
5-HTAHMDB
5-Hydroxy-3-(b-aminoethyl)indoleHMDB
5-Hydroxy-tryptamineHMDB
5-HydroxyltryptamineHMDB
5-HydroxytriptamineHMDB
AntemovisHMDB
DS SubstanceHMDB
EnteraminHMDB
Chemical FormulaC10H12N2O
Average Molecular Weight176.2151
Monoisotopic Molecular Weight176.094963016
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol
Traditional Nameserotonin
CAS Registry Number50-67-9
SMILES
NCCC1=CNC2=C1C=C(O)C=C2
InChI Identifier
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChI KeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as serotonins. Serotonins are compounds containing a serotonin moiety, which consists of an indole that bears an aminoethyl a position 2 and a hydroxyl group at position 5.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassTryptamines and derivatives
Direct ParentSerotonins
Alternative Parents
Substituents
  • Serotonin
  • 3-alkylindole
  • Hydroxyindole
  • Indole
  • 2-arylethylamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Substituted pyrrole
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Azacycle
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility25.5 mg/mLHuman Metabolome Project
LogP0.21HANSCH,C ET AL. (1995)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Baker147.5730932474
[M-H]-MetCCS_train_neg135.8530932474
[M+H]+Baker151.930932474
[M-H]-Not Available141.7http://allccs.zhulab.cn/database/detail?ID=AllCCS00000319
[M+H]+Not Available151.9http://allccs.zhulab.cn/database/detail?ID=AllCCS00000319
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.5 g/LALOGPS
logP0.56ALOGPS
logP0.48ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)9.31ChemAxon
pKa (Strongest Basic)10ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area62.04 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity52.35 m³·mol⁻¹ChemAxon
Polarizability19.31 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+138.38431661259
DarkChem[M-H]-138.7331661259
AllCCS[M+H]+139.0932859911
AllCCS[M-H]-139.93732859911
DeepCCS[M+H]+139.45330932474
DeepCCS[M-H]-135.62630932474
DeepCCS[M-2H]-172.96230932474
DeepCCS[M+Na]+148.530932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SerotoninNCCC1=CNC2=C1C=C(O)C=C23251.5Standard polar33892256
SerotoninNCCC1=CNC2=C1C=C(O)C=C22108.1Standard non polar33892256
SerotoninNCCC1=CNC2=C1C=C(O)C=C22149.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Serotonin,1TMS,isomer #1C[Si](C)(C)OC1=CC=C2[NH]C=C(CCN)C2=C12027.7Semi standard non polar33892256
Serotonin,1TMS,isomer #2C[Si](C)(C)NCCC1=C[NH]C2=CC=C(O)C=C122204.6Semi standard non polar33892256
Serotonin,1TMS,isomer #3C[Si](C)(C)N1C=C(CCN)C2=CC(O)=CC=C212111.6Semi standard non polar33892256
Serotonin,2TMS,isomer #1C[Si](C)(C)NCCC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C122123.8Semi standard non polar33892256
Serotonin,2TMS,isomer #1C[Si](C)(C)NCCC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C122282.8Standard non polar33892256
Serotonin,2TMS,isomer #1C[Si](C)(C)NCCC1=C[NH]C2=CC=C(O[Si](C)(C)C)C=C122418.6Standard polar33892256
Serotonin,2TMS,isomer #2C[Si](C)(C)OC1=CC=C2C(=C1)C(CCN)=CN2[Si](C)(C)C2080.7Semi standard non polar33892256
Serotonin,2TMS,isomer #2C[Si](C)(C)OC1=CC=C2C(=C1)C(CCN)=CN2[Si](C)(C)C2154.9Standard non polar33892256
Serotonin,2TMS,isomer #2C[Si](C)(C)OC1=CC=C2C(=C1)C(CCN)=CN2[Si](C)(C)C2397.9Standard polar33892256
Serotonin,2TMS,isomer #3C[Si](C)(C)N(CCC1=C[NH]C2=CC=C(O)C=C12)[Si](C)(C)C2350.8Semi standard non polar33892256
Serotonin,2TMS,isomer #3C[Si](C)(C)N(CCC1=C[NH]C2=CC=C(O)C=C12)[Si](C)(C)C2394.4Standard non polar33892256
Serotonin,2TMS,isomer #3C[Si](C)(C)N(CCC1=C[NH]C2=CC=C(O)C=C12)[Si](C)(C)C2606.9Standard polar33892256
Serotonin,2TMS,isomer #4C[Si](C)(C)NCCC1=CN([Si](C)(C)C)C2=CC=C(O)C=C122221.8Semi standard non polar33892256
Serotonin,2TMS,isomer #4C[Si](C)(C)NCCC1=CN([Si](C)(C)C)C2=CC=C(O)C=C122301.1Standard non polar33892256
Serotonin,2TMS,isomer #4C[Si](C)(C)NCCC1=CN([Si](C)(C)C)C2=CC=C(O)C=C122462.2Standard polar33892256
Serotonin,3TMS,isomer #1C[Si](C)(C)OC1=CC=C2[NH]C=C(CCN([Si](C)(C)C)[Si](C)(C)C)C2=C12358.8Semi standard non polar33892256
Serotonin,3TMS,isomer #1C[Si](C)(C)OC1=CC=C2[NH]C=C(CCN([Si](C)(C)C)[Si](C)(C)C)C2=C12437.3Standard non polar33892256
Serotonin,3TMS,isomer #1C[Si](C)(C)OC1=CC=C2[NH]C=C(CCN([Si](C)(C)C)[Si](C)(C)C)C2=C12359.7Standard polar33892256
Serotonin,3TMS,isomer #2C[Si](C)(C)NCCC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C122176.9Semi standard non polar33892256
Serotonin,3TMS,isomer #2C[Si](C)(C)NCCC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C122274.2Standard non polar33892256
Serotonin,3TMS,isomer #2C[Si](C)(C)NCCC1=CN([Si](C)(C)C)C2=CC=C(O[Si](C)(C)C)C=C122282.9Standard polar33892256
Serotonin,3TMS,isomer #3C[Si](C)(C)N(CCC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)[Si](C)(C)C2405.9Semi standard non polar33892256
Serotonin,3TMS,isomer #3C[Si](C)(C)N(CCC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)[Si](C)(C)C2510.1Standard non polar33892256
Serotonin,3TMS,isomer #3C[Si](C)(C)N(CCC1=CN([Si](C)(C)C)C2=CC=C(O)C=C12)[Si](C)(C)C2385.2Standard polar33892256
Serotonin,4TMS,isomer #1C[Si](C)(C)OC1=CC=C2C(=C1)C(CCN([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C2447.1Semi standard non polar33892256
Serotonin,4TMS,isomer #1C[Si](C)(C)OC1=CC=C2C(=C1)C(CCN([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C2437.7Standard non polar33892256
Serotonin,4TMS,isomer #1C[Si](C)(C)OC1=CC=C2C(=C1)C(CCN([Si](C)(C)C)[Si](C)(C)C)=CN2[Si](C)(C)C2265.5Standard polar33892256
Serotonin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C2[NH]C=C(CCN)C2=C12312.3Semi standard non polar33892256
Serotonin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC1=C[NH]C2=CC=C(O)C=C122446.9Semi standard non polar33892256
Serotonin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=C(CCN)C2=CC(O)=CC=C212369.3Semi standard non polar33892256
Serotonin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C122678.2Semi standard non polar33892256
Serotonin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C122699.0Standard non polar33892256
Serotonin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC1=C[NH]C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C122603.2Standard polar33892256
Serotonin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CCN)=CN2[Si](C)(C)C(C)(C)C2570.0Semi standard non polar33892256
Serotonin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CCN)=CN2[Si](C)(C)C(C)(C)C2547.8Standard non polar33892256
Serotonin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CCN)=CN2[Si](C)(C)C(C)(C)C2542.8Standard polar33892256
Serotonin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC1=C[NH]C2=CC=C(O)C=C12)[Si](C)(C)C(C)(C)C2802.0Semi standard non polar33892256
Serotonin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC1=C[NH]C2=CC=C(O)C=C12)[Si](C)(C)C(C)(C)C2798.2Standard non polar33892256
Serotonin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC1=C[NH]C2=CC=C(O)C=C12)[Si](C)(C)C(C)(C)C2694.3Standard polar33892256
Serotonin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C122693.4Semi standard non polar33892256
Serotonin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C122724.6Standard non polar33892256
Serotonin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C122597.3Standard polar33892256
Serotonin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C2[NH]C=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C13045.7Semi standard non polar33892256
Serotonin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C2[NH]C=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C13035.3Standard non polar33892256
Serotonin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C2[NH]C=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=C12644.3Standard polar33892256
Serotonin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C122885.8Semi standard non polar33892256
Serotonin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C122877.6Standard non polar33892256
Serotonin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C122593.9Standard polar33892256
Serotonin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)[Si](C)(C)C(C)(C)C3024.4Semi standard non polar33892256
Serotonin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)[Si](C)(C)C(C)(C)C3079.7Standard non polar33892256
Serotonin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(O)C=C12)[Si](C)(C)C(C)(C)C2637.4Standard polar33892256
Serotonin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C3286.5Semi standard non polar33892256
Serotonin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C3166.4Standard non polar33892256
Serotonin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CN2[Si](C)(C)C(C)(C)C2641.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-00di-1900000000-461c2a1f67418e6b5d6a2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-00di-1900000000-2286e87324e9f4a78cb42014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-00di-1900000000-927b865023cbba8721012014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-00di-1910000000-02c17b4cd3336a8bf9b12014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-00di-8900000000-4b838943ace80c8b77342014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-00di-6900000000-a7dd5c569cf4d085d2442014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-MS (4 TMS)splash10-00di-0900000000-2346e553f96cb980c8fc2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-MS (3 TMS)splash10-00di-1900000000-01fbd5196188d4e0f21c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin EI-B (Non-derivatized)splash10-0002-9800000000-9ce9fb2286c3b7ea77192017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Non-derivatized)splash10-00di-1900000000-461c2a1f67418e6b5d6a2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Non-derivatized)splash10-00di-1900000000-2286e87324e9f4a78cb42017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Non-derivatized)splash10-00di-1900000000-927b865023cbba8721012017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Non-derivatized)splash10-00di-1910000000-02c17b4cd3336a8bf9b12017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Non-derivatized)splash10-00di-8900000000-4b838943ace80c8b77342017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-EI-TOF (Non-derivatized)splash10-00di-6900000000-a7dd5c569cf4d085d2442017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-MS (Non-derivatized)splash10-00di-0900000000-2346e553f96cb980c8fc2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Serotonin GC-MS (Non-derivatized)splash10-00di-1900000000-01fbd5196188d4e0f21c2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serotonin GC-MS (Non-derivatized) - 70eV, Positivesplash10-001j-6900000000-95a89ff8a3b12e7e8e252017-07-27Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serotonin GC-MS (1 TMS) - 70eV, Positivesplash10-001i-9450000000-52e0b628b7795c6433622017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serotonin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serotonin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serotonin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serotonin GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serotonin GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serotonin GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0a4i-0900000000-6acaf73bcd452e24b8862012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0aor-0900000000-259227b20b82e63620592012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-02e9-5900000000-2f58fbed2705231821582012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin EI-B (HITACHI M-80) , Positive-QTOFsplash10-0002-9800000000-abcd0769bb17d07b3e382012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-03di-0900000000-bf65d809200ea387ebf52012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-03di-0900000000-8a171ac4fdc0474f7f482012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-03xr-0900000000-a0b7d8a671909c6f4ad12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-014i-1900000000-fa80d05236eabbafd6782012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-014i-4900000000-4e2e322d56fc9ee00edd2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOFsplash10-004i-0900000000-c79f0b03a8dc1da0a10a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Positive-QTOFsplash10-03fr-0900000000-9cb056cd56bae76589d02012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin Linear Ion Trap , negative-QTOFsplash10-03di-1900000000-d64210214a1b3766ff6e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QTOF , positive-QTOFsplash10-03di-0900000000-08840bc938c367dacbb22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QTOF , positive-QTOFsplash10-03yi-0900000000-858936972fd87c0c0b142017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QTOF , positive-QTOFsplash10-0159-4900000000-a8fc7dff385a4f51b88a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QTOF , positive-QTOFsplash10-00p0-9400000000-7e4063d2b516ae59df842017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QQ , positive-QTOFsplash10-03di-0900000000-bf65d809200ea387ebf52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QQ , positive-QTOFsplash10-03di-0900000000-8a171ac4fdc0474f7f482017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serotonin LC-ESI-QQ , positive-QTOFsplash10-03xr-0900000000-a0b7d8a671909c6f4ad12017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serotonin 10V, Positive-QTOFsplash10-01t9-0900000000-a4e556450f24165aed152017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serotonin 20V, Positive-QTOFsplash10-03di-0900000000-657c360c251ec5745d1f2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serotonin 40V, Positive-QTOFsplash10-01qc-2900000000-397a6873ea727da9cc8f2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serotonin 10V, Negative-QTOFsplash10-004i-0900000000-253552852dde8abefca02017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serotonin 20V, Negative-QTOFsplash10-004i-0900000000-5dd492dfc2d781e722542017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Serotonin 40V, Negative-QTOFsplash10-053r-1900000000-bed3bfffbc9cca5062812017-06-28Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart 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
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Urine
Tissue Locations
  • Adipose Tissue
  • Adrenal Cortex
  • Adrenal Gland
  • Adrenal Medulla
  • Bladder
  • Brain
  • Epidermis
  • Fibroblasts
  • Intestine
  • Kidney
  • Neuron
  • Pancreas
  • Placenta
  • Platelet
  • Prostate
  • Skeletal Muscle
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.85 +/- 0.077 uMAdult (>18 years old)Both
Normal		 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.07 (0-0.15) uMNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.70 +/- 0.32 uMChildren (1-13 years old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.74 +/- 0.28 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.97 +/- 0.28 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.30-2.00 uMAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified0.41 +/- 0.33 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified1.14(0.72-1.72) uMChildren (1-13 uears old)Both
Normal		 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0057-0.012 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0053-0.01 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.001 (0.0006-0.002) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.002-0.025 uMChildren (1-13 years old)MaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.00001 +/- 0.000002 uMAdult (>18 years old)MaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0059 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedBoth
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.026 (0.017-0.040) umol/mmol creatinineAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified0.02 (0.004-0.0315) umol/mmol creatinineAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified0.1512 +/- 0.0566 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.1-0.35 umol/mmol creatinineNewborn (0-30 days old)BothNormal details
UrineDetected and Quantified0.20 +/- 0.07 umol/mmol creatinineNewborn (0-30 days old)FemaleNormal details
UrineDetected and Quantified0.2 +/- 0.05 umol/mmol creatinineNewborn (0-30 days old)MaleNormal details
UrineDetected and Quantified0.065 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified9.892 +/- 3.264 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected and Quantified0.0110-0.0680 umol/mmol creatinineAdult (>18 years old)MaleNormal details
UrineDetected and Quantified0.03 (0.015-0.046) umol/mmol creatinineChildren (1-13 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified0.08 (0.04-0.12) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.0350-0.0670 umol/mmol creatinineChildren (1-13 years old)Female
Normal		 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.61 +/- 0.096 uMAdult (>18 years old)Both
Schizophrenia		 details
BloodDetected and Quantified1.4(0.96-1.98) uMChildren (1-13 uears old)Both
Environmental enteric dysfunction		 details
Cerebrospinal Fluid (CSF)Detected and Quantified<0.002 uMChildren (1-13 years old)Malesepiapterin reductase deficiency details
Cerebrospinal Fluid (CSF)Detected and Quantified0.00001 +/- 0.0000036 uMAdult (>18 years old)Not SpecifiedHypothyroidism details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0044 (0.00-0.0093) uMAdult (>18 years old)BothParkinson's Disease details
Cerebrospinal Fluid (CSF)Detected and Quantified0.00001 +/- 0.000004 uMAdult (>18 years old)BothHypothyroidism details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
UrineDetected and Quantified0.1758 +/- 0.057 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected and Quantified0.1782 +/- 0.0798 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Gastroesophageal reflux disease
    • Analysis of 30 no...
 details
UrineDetected and Quantified3.755 +/- 3.583 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected and Quantified0.124-0.233 umol/mmol creatinineAdult (>18 years old)MaleBrunner Syndrome details
UrineDetected and Quantified0.188 umol/mmol creatinineChildren (1-13 years old)Female
Aromatic L-amino acid decarboxylase deficiency		 details
UrineDetected and Quantified0.221 umol/mmol creatinineInfant (0-1 year old)Female
Aromatic L-amino acid decarboxylase deficiency		 details
Associated Disorders and Diseases
Disease References
Schizophrenia
  1. Fukushima T, Iizuka H, Yokota A, Suzuki T, Ohno C, Kono Y, Nishikiori M, Seki A, Ichiba H, Watanabe Y, Hongo S, Utsunomiya M, Nakatani M, Sadamoto K, Yoshio T: Quantitative analyses of schizophrenia-associated metabolites in serum: serum D-lactate levels are negatively correlated with gamma-glutamylcysteine in medicated schizophrenia patients. PLoS One. 2014 Jul 8;9(7):e101652. doi: 10.1371/journal.pone.0101652. eCollection 2014. [PubMed:25004141 ]
Parkinson's disease
  1. Engelborghs S, Marescau B, De Deyn PP: Amino acids and biogenic amines in cerebrospinal fluid of patients with Parkinson's disease. Neurochem Res. 2003 Aug;28(8):1145-50. [PubMed:12834252 ]
Hypothyroidism
  1. Sjoberg S, Eriksson M, Nordin C: L-thyroxine treatment and neurotransmitter levels in the cerebrospinal fluid of hypothyroid patients: a pilot study. Eur J Endocrinol. 1998 Nov;139(5):493-7. [PubMed:9849813 ]
Sepiapterin reductase deficiency
  1. Verbeek MM, Willemsen MA, Wevers RA, Lagerwerf AJ, Abeling NG, Blau N, Thony B, Vargiami E, Zafeiriou DI: Two Greek siblings with sepiapterin reductase deficiency. Mol Genet Metab. 2008 Aug;94(4):403-9. doi: 10.1016/j.ymgme.2008.04.003. Epub 2008 May 27. [PubMed:18502672 ]
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Aromatic L-amino acid decarboxylase deficiency
  1. Abeling NG, van Gennip AH, Barth PG, van Cruchten A, Westra M, Wijburg FA: Aromatic L-amino acid decarboxylase deficiency: a new case with a mild clinical presentation and unexpected laboratory findings. J Inherit Metab Dis. 1998 Jun;21(3):240-2. [PubMed:9686366 ]
Brunner Syndrome
  1. Brunner HG, Nelen MR, van Zandvoort P, Abeling NG, van Gennip AH, Wolters EC, Kuiper MA, Ropers HH, van Oost BA: X-linked borderline mental retardation with prominent behavioral disturbance: phenotype, genetic localization, and evidence for disturbed monoamine metabolism. Am J Hum Genet. 1993 Jun;52(6):1032-9. [PubMed:8503438 ]
Associated OMIM IDs
DrugBank IDDB08839
Phenol Explorer Compound IDNot Available
FooDB IDFDB012158
KNApSAcK IDC00001429
Chemspider ID5013
KEGG Compound IDC00780
BioCyc IDSEROTONIN
BiGG IDNot Available
Wikipedia LinkSerotonin
METLIN IDNot Available
PubChem Compound5202
PDB IDNot Available
ChEBI ID28790
Food Biomarker OntologyNot Available
VMH IDSRTN
MarkerDB IDMDB00000126
Good Scents IDNot Available
References
Synthesis ReferenceHarley-Mason, John; Jackson, A. H. Hydroxytryptamines. I. Bufotenine, 6-hydroxybufotenine, and serotonin. Journal of the Chemical Society (1954), 1165-71.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Cozzi A, Zignego AL, Carpendo R, Biagiotti T, Aldinucci A, Monti M, Giannini C, Rosselli M, Laffi G, Moroni F: Low serum tryptophan levels, reduced macrophage IDO activity and high frequency of psychopathology in HCV patients. J Viral Hepat. 2006 Jun;13(6):402-8. [PubMed:16842443 ]
  2. Engelborghs S, Marescau B, De Deyn PP: Amino acids and biogenic amines in cerebrospinal fluid of patients with Parkinson's disease. Neurochem Res. 2003 Aug;28(8):1145-50. [PubMed:12834252 ]
  3. Panholzer TJ, Beyer J, Lichtwald K: Coupled-column liquid chromatographic analysis of catecholamines, serotonin, and metabolites in human urine. Clin Chem. 1999 Feb;45(2):262-8. [PubMed:9931050 ]
  4. King BM: The rise, fall, and resurrection of the ventromedial hypothalamus in the regulation of feeding behavior and body weight. Physiol Behav. 2006 Feb 28;87(2):221-44. Epub 2006 Jan 18. [PubMed:16412483 ]
  5. Sjoberg S, Eriksson M, Nordin C: L-thyroxine treatment and neurotransmitter levels in the cerebrospinal fluid of hypothyroid patients: a pilot study. Eur J Endocrinol. 1998 Nov;139(5):493-7. [PubMed:9849813 ]
  6. Eklundh T, Eriksson M, Sjoberg S, Nordin C: Monoamine precursors, transmitters and metabolites in cerebrospinal fluid: a prospective study in healthy male subjects. J Psychiatr Res. 1996 May-Jun;30(3):201-8. [PubMed:8884658 ]
  7. Serebruany VL, Glassman AH, Malinin AI, Nemeroff CB, Musselman DL, van Zyl LT, Finkel MS, Krishnan KR, Gaffney M, Harrison W, Califf RM, O'Connor CM: Platelet/endothelial biomarkers in depressed patients treated with the selective serotonin reuptake inhibitor sertraline after acute coronary events: the Sertraline AntiDepressant Heart Attack Randomized Trial (SADHART) Platelet Substudy. Circulation. 2003 Aug 26;108(8):939-44. Epub 2003 Aug 11. [PubMed:12912814 ]
  8. Preuss HG, Garis RI, Bramble JD, Bagchi D, Bagchi M, Rao CV, Satyanarayana S: Efficacy of a novel calcium/potassium salt of (-)-hydroxycitric acid in weight control. Int J Clin Pharmacol Res. 2005;25(3):133-44. [PubMed:16366421 ]
  9. Lincoln J, Crowe R, Kamm MA, Burnstock G, Lennard-Jones JE: Serotonin and 5-hydroxyindoleacetic acid are increased in the sigmoid colon in severe idiopathic constipation. Gastroenterology. 1990 May;98(5 Pt 1):1219-25. [PubMed:1691117 ]
  10. Lundeberg L, Liang Y, Sundstrom E, Nordlind K, Verhofstad A, Liden S, Johansson O: Serotonin in human allergic contact dermatitis. An immunohistochemical and high-performance liquid chromatographic study. Arch Dermatol Res. 1999 May;291(5):269-74. [PubMed:10367709 ]
  11. Blardi P, Palazzuoli A, de Lalla A, Auteri A: Variations of peripheral markers of serotoninergic system in selected vascular patients. Nutr Metab Cardiovasc Dis. 2006 Apr;16(3):210-4. Epub 2005 Oct 21. [PubMed:16580588 ]
  12. Lommatzsch M, Hornych K, Zingler C, Schuff-Werner P, Hoppner J, Virchow JC: Maternal serum concentrations of BDNF and depression in the perinatal period. Psychoneuroendocrinology. 2006 Apr;31(3):388-94. Epub 2005 Nov 10. [PubMed:16289360 ]
  13. Koskiniemi M, Laakso J, Kuurne T, Laipio M, Harkonen M: Indole levels in human lumbar and ventricular cerebrospinal fluid and the effect of L-tryptophan administration. Acta Neurol Scand. 1985 Feb;71(2):127-32. [PubMed:2580417 ]
  14. Lawrence KR, Adra M, Gillman PK: Serotonin toxicity associated with the use of linezolid: a review of postmarketing data. Clin Infect Dis. 2006 Jun 1;42(11):1578-83. Epub 2006 Apr 27. [PubMed:16652315 ]
  15. Blardi P, de Lalla A, Pieragalli D, De Franco V, Meini S, Ceccatelli L, Auteri A: Effect of iloprost on plasma asymmetric dimethylarginine and plasma and platelet serotonin in patients with peripheral arterial occlusive disease. Prostaglandins Other Lipid Mediat. 2006 Sep;80(3-4):175-82. Epub 2006 Jul 18. [PubMed:16939882 ]
  16. Eriksson O, Wall A, Marteinsdottir I, Agren H, Hartvig P, Blomqvist G, Langstrom B, Naessen T: Mood changes correlate to changes in brain serotonin precursor trapping in women with premenstrual dysphoria. Psychiatry Res. 2006 Mar 31;146(2):107-16. Epub 2006 Mar 2. [PubMed:16515859 ]
  17. Ormazabal A, Vilaseca MA, Perez-Duenas B, Lambruschini N, Gomez L, Campistol J, Artuch R: Platelet serotonin concentrations in PKU patients under dietary control and tetrahydrobiopterin treatment. J Inherit Metab Dis. 2005;28(6):863-70. [PubMed:16435178 ]
  18. Ortiz J, Artigas F, Gelpi E: Serotonergic status in human blood. Life Sci. 1988;43(12):983-90. [PubMed:2459577 ]
  19. Sato T, Suzuki E, Yokoyama M, Semba J, Watanabe S, Miyaoka H: Chronic intraperitoneal injection of interferon-alpha reduces serotonin levels in various regions of rat brain, but does not change levels of serotonin transporter mRNA, nitrite or nitrate. Psychiatry Clin Neurosci. 2006 Aug;60(4):499-506. [PubMed:16884454 ]
  20. Konca K, Tiftik EN, Aslan G, Kanik A, Yalcin A: The effect of cromoglycate on time-dependent histamine and serotonin concentrations in stored blood products. Transfus Apher Sci. 2006 Apr;34(2):193-8. Epub 2006 Mar 3. [PubMed:16516555 ]
  21. De-Miguel FF, Trueta C: Synaptic and extrasynaptic secretion of serotonin. Cell Mol Neurobiol. 2005 Mar;25(2):297-312. [PubMed:16047543 ]
  22. Mezzelani A, Landini M, Facchiano F, Raggi ME, Villa L, Molteni M, De Santis B, Brera C, Caroli AM, Milanesi L, Marabotti A: Environment, dysbiosis, immunity and sex-specific susceptibility: a translational hypothesis for regressive autism pathogenesis. Nutr Neurosci. 2015 May;18(4):145-61. doi: 10.1179/1476830513Y.0000000108. Epub 2014 Jan 21. [PubMed:24621061 ]

Only showing the first 10 proteins. There are 27 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Serotonin N-acetyltransferase
General function:
Involved in N-acetyltransferase activity
Specific function:
Controls the night/day rhythm of melatonin production in the pineal gland. Catalyzes the N-acetylation of serotonin into N-acetylserotonin, the penultimate step in the synthesis of melatonin.
Gene Name:
AANAT
Uniprot ID:
Q16613
Molecular weight:
23343.8
Reactions
Acetyl-CoA + Serotonin → Coenzyme A + N-Acetylserotonindetails
Enzyme Details
2. Amine oxidase [flavin-containing] B
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOB preferentially degrades benzylamine and phenylethylamine.
Gene Name:
MAOB
Uniprot ID:
P27338
Molecular weight:
58762.475
Reactions
Serotonin + Water + Oxygen → 5-Hydroxyindoleacetaldehyde + Ammonia + Hydrogen peroxidedetails
Enzyme Details
3. Amine oxidase [flavin-containing] A
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOA preferentially oxidizes biogenic amines such as 5-hydroxytryptamine (5-HT), norepinephrine and epinephrine.
Gene Name:
MAOA
Uniprot ID:
P21397
Molecular weight:
59681.27
Reactions
Serotonin + Water + Oxygen → 5-Hydroxyindoleacetaldehyde + Ammonia + Hydrogen peroxidedetails
Enzyme Details
4. Aromatic-L-amino-acid decarboxylase
General function:
Involved in carboxy-lyase activity
Specific function:
Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine, L-5-hydroxytryptophan to serotonin and L-tryptophan to tryptamine.
Gene Name:
DDC
Uniprot ID:
P20711
Molecular weight:
53893.755
Reactions
5-Hydroxy-L-tryptophan → Serotonin + CO(2)details
5-Hydroxy-L-tryptophan → Serotonin + Carbon dioxidedetails
Enzyme Details
5. Aldo-keto reductase family 1 member C3
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the conversion of aldehydes and ketones to alcohols. Catalyzes the reduction of prostaglandin (PG) D2, PGH2 and phenanthrenequinone (PQ) and the oxidation of 9-alpha,11-beta-PGF2 to PGD2. Functions as a bi-directional 3-alpha-, 17-beta- and 20-alpha HSD. Can interconvert active androgens, estrogens and progestins with their cognate inactive metabolites. Preferentially transforms androstenedione (4-dione) to testosterone.
Gene Name:
AKR1C3
Uniprot ID:
P42330
Molecular weight:
36866.91
Enzyme Details
6. Indolethylamine N-methyltransferase
General function:
Involved in methyltransferase activity
Specific function:
Functions as thioether S-methyltransferase and is active with a variety of thioethers and the corresponding selenium and tellurium compounds, including 3-methylthiopropionaldehyde, dimethyl selenide, dimethyl telluride, 2-methylthioethylamine, 2-methylthioethanol, methyl-n-propyl sulfide and diethyl sulfide. Plays an important role in the detoxification of selenium compounds (By similarity). Catalyzes the N-methylation of tryptamine and structurally related compounds.
Gene Name:
INMT
Uniprot ID:
O95050
Molecular weight:
28833.695
Reactions
S-Adenosylmethionine + Serotonin → S-Adenosylhomocysteine + N-Methylserotonindetails
Enzyme Details
7. Indoleamine 2,3-dioxygenase 1
General function:
Involved in heme binding
Specific function:
Catalyzes the cleavage of the pyrrol ring of tryptophan and incorporates both atoms of a molecule of oxygen.
Gene Name:
IDO1
Uniprot ID:
P14902
Molecular weight:
45325.89
Reactions
Serotonin + Oxygen → Formyl-5-hydroxykynurenaminedetails
Enzyme Details
8. Protein arginine N-methyltransferase 3
General function:
Involved in protein methyltransferase activity
Specific function:
Methylates (mono and asymmetric dimethylation) the guanidino nitrogens of arginyl residues in some proteins
Gene Name:
PRMT3
Uniprot ID:
O60678
Molecular weight:
59902.7
Enzyme Details
9. 5-hydroxytryptamine receptor 4
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. The activity of this receptor is mediated by G proteins that stimulate adenylate cyclase
Gene Name:
HTR4
Uniprot ID:
Q13639
Molecular weight:
43761.0
Enzyme Details
10. 5-hydroxytryptamine receptor 7
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. The activity of this receptor is mediated by G proteins that stimulate adenylate cyclase
Gene Name:
HTR7
Uniprot ID:
P34969
Molecular weight:
53554.4

Transporters

Enzyme Details
1. Sodium-dependent serotonin transporter
General function:
Involved in neurotransmitter:sodium symporter activity
Specific function:
Serotonin transporter whose primary function in the central nervous system involves the regulation of serotonergic signaling via transport of serotonin molecules from the synaptic cleft back into the pre-synaptic terminal for re-utilization. Plays a key role in mediating regulation of the availability of serotonin to other receptors of serotonergic systems. Terminates the action of serotonin and recycles it in a sodium-dependent manner.
Gene Name:
SLC6A4
Uniprot ID:
P31645
Molecular weight:
70324.165

Only showing the first 10 proteins. There are 27 proteins in total.

Show all enzymes and transporters