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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2009-11-30 15:52:52 UTC

Update Date

2023-02-21 17:17:59 UTC

HMDB ID

HMDB0013318

Secondary Accession Numbers

HMDB13318

Metabolite Identification

Common Name

Tryptophanamide

Description

Tryptophanamide belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. Based on a literature review a significant number of articles have been published on Tryptophanamide.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv1652303102016522D          

 15 16  0  0  0  0            999 V2000
    8.6365   -8.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6365   -9.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9219   -8.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9219  -10.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2075   -8.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2075   -9.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4211   -8.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9060   -9.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4212   -9.9910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6760   -7.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4830   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7380   -6.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5449   -6.7439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860   -6.3023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0350   -8.3131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0013318

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CNC2=CC=CC=C12)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)

> <INCHI_KEY>
JLSKPBDKNIXMBS-UHFFFAOYSA-N

> <FORMULA>
C11H13N3O

> <MOLECULAR_WEIGHT>
203.2404

> <EXACT_MASS>
203.105862053

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
21.61068172887237

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-amino-3-(1H-indol-3-yl)propanamide

> <ALOGPS_LOGP>
0.35

> <JCHEM_LOGP>
0.3694344323333335

> <ALOGPS_LOGS>
-1.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
16.79051814205109

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.949795138253851

> <JCHEM_PKA_STRONGEST_BASIC>
7.966191419613276

> <JCHEM_POLAR_SURFACE_AREA>
84.9

> <JCHEM_REFRACTIVITY>
58.025000000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.63e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tryptophan amide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0      16.121 -16.634   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.121 -18.174   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.788 -15.864   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.788 -18.944   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.454 -16.634   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.454 -18.174   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      17.586 -16.158   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      18.491 -17.404   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      17.586 -18.650   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      18.062 -14.693   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      19.568 -14.373   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      20.044 -12.909   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      21.550 -12.589   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      19.014 -11.764   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      20.599 -15.518   0.000  0.00  0.00           N+0
CONECT    1    3    7    2                                                  
CONECT    2    4    1    9                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    6                                                       
CONECT    6    4    5                                                       
CONECT    7    1    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    2    8                                                       
CONECT   10    7   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   32    0
END

COMPND    HMDB0013318
HETATM    1  N1  UNL     1      -4.071   0.373  -0.921  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.343   0.362   0.280  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.798   0.906   1.299  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.025  -0.302   0.328  1.00  0.00           C  
HETATM    5  N2  UNL     1      -1.463  -0.193   1.635  1.00  0.00           N  
HETATM    6  C3  UNL     1      -1.208   0.273  -0.784  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.153  -0.256  -0.913  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.644  -1.220  -1.787  1.00  0.00           C  
HETATM    9  N3  UNL     1       1.949  -1.423  -1.552  1.00  0.00           N  
HETATM   10  C6  UNL     1       2.369  -0.626  -0.543  1.00  0.00           C  
HETATM   11  C7  UNL     1       3.614  -0.470   0.053  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.793   0.426   1.077  1.00  0.00           C  
HETATM   13  C9  UNL     1       2.694   1.148   1.476  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.456   0.998   0.889  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.253   0.093  -0.153  1.00  0.00           C  
HETATM   16  H1  UNL     1      -4.288  -0.518  -1.434  1.00  0.00           H  
HETATM   17  H2  UNL     1      -4.428   1.254  -1.360  1.00  0.00           H  
HETATM   18  H3  UNL     1      -2.232  -1.396   0.183  1.00  0.00           H  
HETATM   19  H4  UNL     1      -1.502   0.748   2.050  1.00  0.00           H  
HETATM   20  H5  UNL     1      -1.794  -0.912   2.295  1.00  0.00           H  
HETATM   21  H6  UNL     1      -1.781   0.148  -1.723  1.00  0.00           H  
HETATM   22  H7  UNL     1      -1.157   1.379  -0.610  1.00  0.00           H  
HETATM   23  H8  UNL     1       0.018  -1.705  -2.529  1.00  0.00           H  
HETATM   24  H9  UNL     1       2.597  -2.096  -2.056  1.00  0.00           H  
HETATM   25  H10 UNL     1       4.479  -1.037  -0.260  1.00  0.00           H  
HETATM   26  H11 UNL     1       4.723   0.595   1.579  1.00  0.00           H  
HETATM   27  H12 UNL     1       2.757   1.877   2.281  1.00  0.00           H  
HETATM   28  H13 UNL     1       0.592   1.575   1.200  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3    3    4
CONECT    4    5    6   18
CONECT    5   19   20
CONECT    6    7   21   22
CONECT    7    8    8   15
CONECT    8    9   23
CONECT    9   10   24
CONECT   10   11   11   15
CONECT   11   12   25
CONECT   12   13   13   26
CONECT   13   14   27
CONECT   14   15   15   28
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(S)-alpha-amino-1H-Indole-3-propionamide	HMDB
2-amino-3-(3-Indolyl)-propanamide	HMDB
alpha-amino-(S)-1H-Indole-3-propanamide	HMDB
alpha-amino-1H-Indole-3-propanamide	HMDB
L-Tryptophanamide	HMDB
Tryptophanamide, (S)-isomer	MeSH, HMDB
Tryptophanamide monohydrochloride, (S)-isomer	MeSH, HMDB
Tryptophanamide, (+-)-isomer	MeSH, HMDB
2-Amino-3-(1H-indol-3-yl)propanimidate	Generator

Chemical Formula

C₁₁H₁₃N₃O

Average Molecular Weight

203.2404

Monoisotopic Molecular Weight

203.105862053

IUPAC Name

2-amino-3-(1H-indol-3-yl)propanamide

Traditional Name

tryptophan amide

CAS Registry Number

20696-57-5

SMILES

NC(CC1=CNC2=CC=CC=C12)C(N)=O

InChI Identifier

InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)

InChI Key

JLSKPBDKNIXMBS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Tryptamines and derivatives

Direct Parent

Tryptamines and derivatives

Alternative Parents

Substituents

Alpha-amino acid amide
Triptan
Alpha-amino acid or derivatives
3-alkylindole
Indole
Aralkylamine
Fatty amide
Substituted pyrrole
Fatty acyl
Benzenoid
Pyrrole
Heteroaromatic compound
Amino acid or derivatives
Carboxamide group
Primary carboxylic acid amide
Carboxylic acid derivative
Azacycle
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Amine
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.63 g/L	ALOGPS
logP	0.35	ALOGPS
logP	0.37	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	15.95	ChemAxon
pKa (Strongest Basic)	7.97	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	84.9 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	58.02 m³·mol⁻¹	ChemAxon
Polarizability	21.61 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	145.99	31661259
DarkChem	[M-H]-	145.235	31661259
DeepCCS	[M-2H]-	175.723	30932474
DeepCCS	[M+Na]+	151.139	30932474
AllCCS	[M+H]+	146.5	32859911
AllCCS	[M+H-H2O]+	142.4	32859911
AllCCS	[M+NH4]+	150.3	32859911
AllCCS	[M+Na]+	151.4	32859911
AllCCS	[M-H]-	147.5	32859911
AllCCS	[M+Na-2H]-	147.7	32859911
AllCCS	[M+HCOO]-	148.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tryptophanamide	NC(CC1=CNC2=CC=CC=C12)C(N)=O	3468.0	Standard polar	33892256
Tryptophanamide	NC(CC1=CNC2=CC=CC=C12)C(N)=O	2140.3	Standard non polar	33892256
Tryptophanamide	NC(CC1=CNC2=CC=CC=C12)C(N)=O	2341.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tryptophanamide,1TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(N)=O	2309.3	Semi standard non polar	33892256
Tryptophanamide,1TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(N)=O	2127.4	Standard non polar	33892256
Tryptophanamide,1TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(N)=O	3435.5	Standard polar	33892256
Tryptophanamide,1TMS,isomer #2	C[Si](C)(C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	2261.2	Semi standard non polar	33892256
Tryptophanamide,1TMS,isomer #2	C[Si](C)(C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	2105.3	Standard non polar	33892256
Tryptophanamide,1TMS,isomer #2	C[Si](C)(C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3433.2	Standard polar	33892256
Tryptophanamide,1TMS,isomer #3	C[Si](C)(C)N1C=C(CC(N)C(N)=O)C2=CC=CC=C21	2266.5	Semi standard non polar	33892256
Tryptophanamide,1TMS,isomer #3	C[Si](C)(C)N1C=C(CC(N)C(N)=O)C2=CC=CC=C21	2142.3	Standard non polar	33892256
Tryptophanamide,1TMS,isomer #3	C[Si](C)(C)N1C=C(CC(N)C(N)=O)C2=CC=CC=C21	3851.8	Standard polar	33892256
Tryptophanamide,2TMS,isomer #1	C[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C	2300.5	Semi standard non polar	33892256
Tryptophanamide,2TMS,isomer #1	C[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C	2207.4	Standard non polar	33892256
Tryptophanamide,2TMS,isomer #1	C[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C	2833.6	Standard polar	33892256
Tryptophanamide,2TMS,isomer #2	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(N)=O)[Si](C)(C)C	2448.0	Semi standard non polar	33892256
Tryptophanamide,2TMS,isomer #2	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(N)=O)[Si](C)(C)C	2316.9	Standard non polar	33892256
Tryptophanamide,2TMS,isomer #2	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(N)=O)[Si](C)(C)C	3199.1	Standard polar	33892256
Tryptophanamide,2TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(N)=O	2306.4	Semi standard non polar	33892256
Tryptophanamide,2TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(N)=O	2251.9	Standard non polar	33892256
Tryptophanamide,2TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(N)=O	3173.8	Standard polar	33892256
Tryptophanamide,2TMS,isomer #4	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	2400.0	Semi standard non polar	33892256
Tryptophanamide,2TMS,isomer #4	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	2313.1	Standard non polar	33892256
Tryptophanamide,2TMS,isomer #4	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3046.7	Standard polar	33892256
Tryptophanamide,2TMS,isomer #5	C[Si](C)(C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	2270.0	Semi standard non polar	33892256
Tryptophanamide,2TMS,isomer #5	C[Si](C)(C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	2242.4	Standard non polar	33892256
Tryptophanamide,2TMS,isomer #5	C[Si](C)(C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3119.7	Standard polar	33892256
Tryptophanamide,3TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N([Si](C)(C)C)[Si](C)(C)C	2397.4	Semi standard non polar	33892256
Tryptophanamide,3TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N([Si](C)(C)C)[Si](C)(C)C	2401.5	Standard non polar	33892256
Tryptophanamide,3TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N([Si](C)(C)C)[Si](C)(C)C	2679.7	Standard polar	33892256
Tryptophanamide,3TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C	2299.7	Semi standard non polar	33892256
Tryptophanamide,3TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C	2303.2	Standard non polar	33892256
Tryptophanamide,3TMS,isomer #2	C[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C	2653.7	Standard polar	33892256
Tryptophanamide,3TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2445.9	Semi standard non polar	33892256
Tryptophanamide,3TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2387.0	Standard non polar	33892256
Tryptophanamide,3TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2723.9	Standard polar	33892256
Tryptophanamide,3TMS,isomer #4	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(N)=O)[Si](C)(C)C	2477.9	Semi standard non polar	33892256
Tryptophanamide,3TMS,isomer #4	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(N)=O)[Si](C)(C)C	2430.0	Standard non polar	33892256
Tryptophanamide,3TMS,isomer #4	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(N)=O)[Si](C)(C)C	2940.7	Standard polar	33892256
Tryptophanamide,3TMS,isomer #5	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	2410.7	Semi standard non polar	33892256
Tryptophanamide,3TMS,isomer #5	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	2430.7	Standard non polar	33892256
Tryptophanamide,3TMS,isomer #5	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	2789.6	Standard polar	33892256
Tryptophanamide,4TMS,isomer #1	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2594.7	Semi standard non polar	33892256
Tryptophanamide,4TMS,isomer #1	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2564.0	Standard non polar	33892256
Tryptophanamide,4TMS,isomer #1	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2608.0	Standard polar	33892256
Tryptophanamide,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([Si](C)(C)C)[Si](C)(C)C	2413.8	Semi standard non polar	33892256
Tryptophanamide,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([Si](C)(C)C)[Si](C)(C)C	2480.1	Standard non polar	33892256
Tryptophanamide,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([Si](C)(C)C)[Si](C)(C)C	2566.4	Standard polar	33892256
Tryptophanamide,4TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2484.5	Semi standard non polar	33892256
Tryptophanamide,4TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2464.7	Standard non polar	33892256
Tryptophanamide,4TMS,isomer #3	C[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2612.9	Standard polar	33892256
Tryptophanamide,5TMS,isomer #1	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2660.6	Semi standard non polar	33892256
Tryptophanamide,5TMS,isomer #1	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2628.5	Standard non polar	33892256
Tryptophanamide,5TMS,isomer #1	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2526.9	Standard polar	33892256
Tryptophanamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(N)=O	2539.5	Semi standard non polar	33892256
Tryptophanamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(N)=O	2365.4	Standard non polar	33892256
Tryptophanamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(N)=O	3489.0	Standard polar	33892256
Tryptophanamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	2512.4	Semi standard non polar	33892256
Tryptophanamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	2323.8	Standard non polar	33892256
Tryptophanamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3455.6	Standard polar	33892256
Tryptophanamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(N)=O)C2=CC=CC=C21	2551.0	Semi standard non polar	33892256
Tryptophanamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(N)=O)C2=CC=CC=C21	2336.6	Standard non polar	33892256
Tryptophanamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(N)=O)C2=CC=CC=C21	3940.1	Standard polar	33892256
Tryptophanamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C	2745.5	Semi standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C	2676.0	Standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C	2965.8	Standard polar	33892256
Tryptophanamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(N)=O)[Si](C)(C)C(C)(C)C	2917.5	Semi standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(N)=O)[Si](C)(C)C(C)(C)C	2754.1	Standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(N)=O)[Si](C)(C)C(C)(C)C	3205.9	Standard polar	33892256
Tryptophanamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(N)=O	2777.3	Semi standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(N)=O	2695.0	Standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(N)=O	3245.7	Standard polar	33892256
Tryptophanamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	2863.3	Semi standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	2705.2	Standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3061.0	Standard polar	33892256
Tryptophanamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	2763.1	Semi standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	2675.8	Standard non polar	33892256
Tryptophanamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3169.4	Standard polar	33892256
Tryptophanamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3088.8	Semi standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3024.4	Standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2937.3	Standard polar	33892256
Tryptophanamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C	2911.3	Semi standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C	2948.8	Standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C	2937.6	Standard polar	33892256
Tryptophanamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3121.4	Semi standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3022.2	Standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2964.4	Standard polar	33892256
Tryptophanamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(N)=O)[Si](C)(C)C(C)(C)C	3137.5	Semi standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(N)=O)[Si](C)(C)C(C)(C)C	3034.9	Standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(N)=O)[Si](C)(C)C(C)(C)C	3121.8	Standard polar	33892256
Tryptophanamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3061.2	Semi standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	2978.3	Standard non polar	33892256
Tryptophanamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	2995.3	Standard polar	33892256
Tryptophanamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3462.1	Semi standard non polar	33892256
Tryptophanamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3328.6	Standard non polar	33892256
Tryptophanamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2931.4	Standard polar	33892256
Tryptophanamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3239.9	Semi standard non polar	33892256
Tryptophanamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.4	Standard non polar	33892256
Tryptophanamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2917.5	Standard polar	33892256
Tryptophanamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3305.3	Semi standard non polar	33892256
Tryptophanamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3223.3	Standard non polar	33892256
Tryptophanamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2943.0	Standard polar	33892256
Tryptophanamide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3639.6	Semi standard non polar	33892256
Tryptophanamide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3489.0	Standard non polar	33892256
Tryptophanamide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2938.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophanamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0563-8900000000-07df421735ca03f799f6	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophanamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophanamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 10V, Positive-QTOF	splash10-0zfr-0960000000-22a314d0d34a9e44a4f3	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 20V, Positive-QTOF	splash10-052f-0900000000-7733429c2f142f600157	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 40V, Positive-QTOF	splash10-00lu-1900000000-4ad847f6ed93a51642ee	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 10V, Negative-QTOF	splash10-0udi-0190000000-89482056afa5180598b4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 20V, Negative-QTOF	splash10-0udi-4790000000-97476b87c0410ba2a1c5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 40V, Negative-QTOF	splash10-0006-9100000000-90e7066eb10707a3a144	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 10V, Negative-QTOF	splash10-0udi-0190000000-e8a86e03f10983f4de47	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 20V, Negative-QTOF	splash10-0uxu-5950000000-c10e91fcec04467b7d50	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 40V, Negative-QTOF	splash10-014i-1900000000-c27074adec8637adcdab	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 10V, Positive-QTOF	splash10-0f79-0940000000-23f03f13b721bc83f335	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 20V, Positive-QTOF	splash10-00kf-0900000000-0d7e973cd83ab1f35415	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophanamide 40V, Positive-QTOF	splash10-0006-2900000000-e37d8ede6934af8782b4	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Detected and Quantified	0.28 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	19309105	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB029380

KNApSAcK ID

Not Available

Chemspider ID

80647

KEGG Compound ID

C00977

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

89366

PDB ID

Not Available

ChEBI ID

791437

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Tryptophanamide (HMDB0013318)

MOL for HMDB0013318 (Tryptophanamide)

3D MOL for HMDB0013318 (Tryptophanamide)

3D SDF for HMDB0013318 (Tryptophanamide)

3D-SDF for HMDB0013318 (Tryptophanamide)

PDB for HMDB0013318 (Tryptophanamide)

3D PDB for HMDB0013318 (Tryptophanamide)

SMILES for HMDB0013318 (Tryptophanamide)

INCHI for HMDB0013318 (Tryptophanamide)

Structure for HMDB0013318 (Tryptophanamide)

3D Structure for HMDB0013318 (Tryptophanamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra