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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-02-23 11:12:23 UTC

Update Date

2023-02-21 17:15:53 UTC

HMDB ID

HMDB0001867

Secondary Accession Numbers

HMDB01867

Metabolite Identification

Common Name

4-Aminohippuric acid

Description

4-Aminohippuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:. acyl-CoA + glycine < -- > CoA + N-acylglycine. Renal proximal tubules secrete various organic anions, including drugs and p-aminohippurate (PAH). Uptake of PAH from blood into tubule cells occurs by exchange with intracellular alpha-ketoglutarate and is mediated by the organic anion transporter 1. PAH exit into tubule lumen is species specific and may involve ATP-independent and -dependent transporters. (PMID 11443229 ). Enhanced secretion of p-aminohippuric acid occurs in Fanconi's syndrome (FS). FS is associated with numerous varieties of inherited and acquired conditions; FS is characterized by a generalized transport defect in the proximal tubules, leading to renal losses of glucose, phosphate, calcium, uric acid, amino acids, bicarbonates, and other organic compounds. (PMID 12552490 ).

Structure

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

2148
  Mrv1652305261923592D          

 14 14  0  0  0  0            999 V2000
    1.6500    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001867

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=CC=C(C=C1)C(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)

> <INCHI_KEY>
HSMNQINEKMPTIC-UHFFFAOYSA-N

> <FORMULA>
C9H10N2O3

> <MOLECULAR_WEIGHT>
194.1873

> <EXACT_MASS>
194.069142196

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
19.12820889871564

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(4-aminophenyl)formamido]acetic acid

> <ALOGPS_LOGP>
0.00

> <JCHEM_LOGP>
-1.0117944150316858

> <ALOGPS_LOGS>
-1.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.848287599594851

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7016903059927464

> <JCHEM_PKA_STRONGEST_BASIC>
4.242377131789654

> <JCHEM_POLAR_SURFACE_AREA>
92.41999999999999

> <JCHEM_REFRACTIVITY>
50.81810000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aminohippurate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 2148                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-19         0                                  
HETATM    1  O   UNK     0       3.080   1.540   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       7.081   5.390   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       8.415   3.080   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       5.747   1.540   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       4.414  -5.390   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       4.414  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.080  -1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.747  -1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.414  -3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.080  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.747  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.747   3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.081   3.850   0.000  0.00  0.00           C+0
CONECT    1    7                                                            
CONECT    2   14                                                            
CONECT    3   14                                                            
CONECT    4    7   13                                                       
CONECT    5   10                                                            
CONECT    6    7    8    9                                                  
CONECT    7    1    4    6                                                  
CONECT    8    6   11                                                       
CONECT    9    6   12                                                       
CONECT   10    5   11   12                                                  
CONECT   11    8   10                                                       
CONECT   12    9   10                                                       
CONECT   13    4   14                                                       
CONECT   14    2    3   13                                                  
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Aminohippuric acid	ChEBI
N-(p-Aminobenzoyl)aminoacetic acid	ChEBI
N-(p-Aminobenzoyl)glycine	ChEBI
N-(Para-aminobenzoyl)glycine	ChEBI
p-Aminohippurate	ChEBI
PAH	ChEBI
Paha	ChEBI
Para-aminohippuric acid	ChEBI
Paraaminohippuric acid	ChEBI
p-Aminohippuric acid	Kegg
Aminohippate	Generator
Aminohippic acid	Generator
N-(p-Aminobenzoyl)aminoacetate	Generator
Para-aminohippate	Generator
Para-aminohippic acid	Generator
Paraaminohippate	Generator
Paraaminohippic acid	Generator
p-Aminohippate	Generator
p-Aminohippic acid	Generator
4-Aminohippate	Generator
4-Aminohippic acid	Generator
4-Aminohippurate	HMDB
Aminohippurate	HMDB
Chlorphentermine	HMDB
N-(4-Aminobenzoyl)glycine	HMDB
Nefrotest	HMDB
Para-aminohippurate	HMDB
Aminohippurate sodium	HMDB
Sodium para-aminohippurate	HMDB
Sodium, aminohippurate	HMDB
p Aminohippurate	HMDB
Para-aminohippurate, sodium	HMDB
Para aminohippuric acid	HMDB
4 Aminohippuric acid	HMDB
Nephrotest	HMDB
Sodium para aminohippurate	HMDB
p Aminohippuric acid	HMDB
4-Aminohippuric acid	ChEBI

Chemical Formula

C₉H₁₀N₂O₃

Average Molecular Weight

194.1873

Monoisotopic Molecular Weight

194.069142196

IUPAC Name

2-[(4-aminophenyl)formamido]acetic acid

Traditional Name

aminohippurate

CAS Registry Number

61-78-9

SMILES

NC1=CC=C(C=C1)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)

InChI Key

HSMNQINEKMPTIC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Substituents

Hippuric acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Aminobenzamide
Aminobenzoic acid or derivatives
Benzoyl
Aniline or substituted anilines
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Primary amine
Amine
Organonitrogen compound
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
Organic oxygen compound
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

N-acylglycine (CHEBI:104011 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 16169291)

Organ

Kidney (HMDB: HMDB0001867)
Pancreas (HMDB: HMDB0001867)

Excreta

Biofluid or Excreta

Urine (PMID: 19309105)
Feces (PMID: 25486321)

Cellular substructure

Cytoplasm (HMDB: HMDB0001867)

Source

Exogenous

Exogenous (HMDB: HMDB0001867)

Food

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Endogenous

Endogenous (HMDB: HMDB0001867)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001867)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	198.5 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	13 mg/mL	Not Available
LogP	-0.89	FLECK,C & BRAUNLICH,H (1990)

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Not Available	147.552	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000300
[M+H]+	Not Available	155.338	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000300

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.13 g/L	ALOGPS
logP	0	ALOGPS
logP	-1	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	2.7	ChemAxon
pKa (Strongest Basic)	4.24	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	92.42 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	50.82 m³·mol⁻¹	ChemAxon
Polarizability	19.13 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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]+	144.928	31661259
DarkChem	[M-H]-	142.982	31661259
AllCCS	[M+H]+	142.313	32859911
AllCCS	[M-H]-	142.074	32859911
DeepCCS	[M+H]+	142.316	30932474
DeepCCS	[M-H]-	139.036	30932474
DeepCCS	[M-2H]-	176.066	30932474
DeepCCS	[M+Na]+	151.605	30932474
AllCCS	[M+H]+	142.3	32859911
AllCCS	[M+H-H2O]+	138.3	32859911
AllCCS	[M+NH4]+	146.1	32859911
AllCCS	[M+Na]+	147.1	32859911
AllCCS	[M-H]-	142.1	32859911
AllCCS	[M+Na-2H]-	142.7	32859911
AllCCS	[M+HCOO]-	143.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4-Aminohippuric acid	NC1=CC=C(C=C1)C(=O)NCC(O)=O	3572.7	Standard polar	33892256
4-Aminohippuric acid	NC1=CC=C(C=C1)C(=O)NCC(O)=O	2148.6	Standard non polar	33892256
4-Aminohippuric acid	NC1=CC=C(C=C1)C(=O)NCC(O)=O	2273.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4-Aminohippuric acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C1=CC=C(N)C=C1	2225.2	Semi standard non polar	33892256
4-Aminohippuric acid,1TMS,isomer #2	C[Si](C)(C)NC1=CC=C(C(=O)NCC(=O)O)C=C1	2390.6	Semi standard non polar	33892256
4-Aminohippuric acid,1TMS,isomer #3	C[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=C(N)C=C1	2223.1	Semi standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C(=O)NCC(=O)O[Si](C)(C)C)C=C1	2543.6	Semi standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C(=O)NCC(=O)O[Si](C)(C)C)C=C1	2298.5	Standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C(=O)NCC(=O)O[Si](C)(C)C)C=C1	2661.8	Standard polar	33892256
4-Aminohippuric acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C	2240.7	Semi standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C	2169.9	Standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C	2873.6	Standard polar	33892256
4-Aminohippuric acid,2TMS,isomer #3	C[Si](C)(C)N(C1=CC=C(C(=O)NCC(=O)O)C=C1)[Si](C)(C)C	2421.3	Semi standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #3	C[Si](C)(C)N(C1=CC=C(C(=O)NCC(=O)O)C=C1)[Si](C)(C)C	2326.5	Standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #3	C[Si](C)(C)N(C1=CC=C(C(=O)NCC(=O)O)C=C1)[Si](C)(C)C	2855.5	Standard polar	33892256
4-Aminohippuric acid,2TMS,isomer #4	C[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O)[Si](C)(C)C)C=C1	2404.5	Semi standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #4	C[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O)[Si](C)(C)C)C=C1	2294.0	Standard non polar	33892256
4-Aminohippuric acid,2TMS,isomer #4	C[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O)[Si](C)(C)C)C=C1	2663.6	Standard polar	33892256
4-Aminohippuric acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1	2438.1	Semi standard non polar	33892256
4-Aminohippuric acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1	2283.0	Standard non polar	33892256
4-Aminohippuric acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1	2461.6	Standard polar	33892256
4-Aminohippuric acid,3TMS,isomer #2	C[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1	2356.2	Semi standard non polar	33892256
4-Aminohippuric acid,3TMS,isomer #2	C[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1	2284.4	Standard non polar	33892256
4-Aminohippuric acid,3TMS,isomer #2	C[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C1	2433.9	Standard polar	33892256
4-Aminohippuric acid,3TMS,isomer #3	C[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1	2341.5	Semi standard non polar	33892256
4-Aminohippuric acid,3TMS,isomer #3	C[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1	2333.4	Standard non polar	33892256
4-Aminohippuric acid,3TMS,isomer #3	C[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1	2483.0	Standard polar	33892256
4-Aminohippuric acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	2296.6	Semi standard non polar	33892256
4-Aminohippuric acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	2277.3	Standard non polar	33892256
4-Aminohippuric acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	2269.7	Standard polar	33892256
4-Aminohippuric acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C1=CC=C(N)C=C1	2495.7	Semi standard non polar	33892256
4-Aminohippuric acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NCC(=O)O)C=C1	2676.9	Semi standard non polar	33892256
4-Aminohippuric acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=C(N)C=C1	2464.2	Semi standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C=C1	3055.4	Semi standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C=C1	2696.5	Standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C=C1	2768.3	Standard polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C	2701.5	Semi standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C	2565.7	Standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C	2929.4	Standard polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NCC(=O)O)C=C1)[Si](C)(C)C(C)(C)C	2929.4	Semi standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NCC(=O)O)C=C1)[Si](C)(C)C(C)(C)C	2687.7	Standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NCC(=O)O)C=C1)[Si](C)(C)C(C)(C)C	2852.5	Standard polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C=C1	2947.0	Semi standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C=C1	2665.5	Standard non polar	33892256
4-Aminohippuric acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C=C1	2799.6	Standard polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3182.7	Semi standard non polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	2878.7	Standard non polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	2720.9	Standard polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3102.9	Semi standard non polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	2846.3	Standard non polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	2756.6	Standard polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3087.3	Semi standard non polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	2881.3	Standard non polar	33892256
4-Aminohippuric acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	2751.1	Standard polar	33892256
4-Aminohippuric acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3254.5	Semi standard non polar	33892256
4-Aminohippuric acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3044.9	Standard non polar	33892256
4-Aminohippuric acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	2685.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - 4-Aminohippuric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0006-0910000000-d6e2bf0631a469ca607b	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - 4-Aminohippuric acid EI-B (Non-derivatized)	splash10-00di-3900000000-454a970609f4250f1022	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - 4-Aminohippuric acid GC-EI-TOF (Non-derivatized)	splash10-0006-0910000000-d6e2bf0631a469ca607b	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Aminohippuric acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-2900000000-13545b50126e3469611d	2017-08-28	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Aminohippuric acid GC-MS (1 TMS) - 70eV, Positive	splash10-00dl-5930000000-96c158cb0933998c6b3e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Aminohippuric acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Aminohippuric acid 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-0f77-2900000000-a8b8a25d88057ce84dd4	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-00di-2900000000-010a61221aacb1a4cd70	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-02fx-9200000000-507831f6ef0e0b10b17a	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 10V, Positive-QTOF	splash10-00di-2900000000-5507cabf47dd4ffa240e	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 30V, Positive-QTOF	splash10-014i-9100000000-c8d97f1cc97cffcbe56f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 20V, Positive-QTOF	splash10-00di-1900000000-395b484545b8358e9937	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 10V, Positive-QTOF	splash10-00di-0900000000-fe5d8f1224f0bd9ade27	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 30V, Positive-QTOF	splash10-014i-9000000000-ccbc2ae9fc7edc68395f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 0V, Positive-QTOF	splash10-00di-0900000000-bcd0e15e018677f4d5ce	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 10V, Positive-QTOF	splash10-00di-3900000000-53a86daaf93d39923f6c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 0V, Positive-QTOF	splash10-00di-0900000000-50659a062cb251ecd11d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 30V, Positive-QTOF	splash10-006x-9600000000-b0f0d35bf4f1f7ac6cab	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 4-Aminohippuric acid 40V, Positive-QTOF	splash10-014l-9100000000-3af1801b411555af00c8	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 10V, Positive-QTOF	splash10-006t-0900000000-886d3df0d88886b514f5	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 20V, Positive-QTOF	splash10-00dj-1900000000-017f11bcb65dee99bf7e	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 40V, Positive-QTOF	splash10-006x-9400000000-7ee96554ee69d820a99c	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 10V, Negative-QTOF	splash10-0006-0900000000-fea9a305d118ff5d8f9f	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 20V, Negative-QTOF	splash10-0006-2900000000-4180dbe6449997335b79	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 40V, Negative-QTOF	splash10-006x-9200000000-6c147308d50977004a22	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 10V, Positive-QTOF	splash10-00di-0900000000-c1f1f8223fde58be726f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 20V, Positive-QTOF	splash10-00di-1900000000-e900ce261e7b036f230a	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 40V, Positive-QTOF	splash10-00kf-9100000000-575f1135c946d9802884	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 10V, Negative-QTOF	splash10-0007-2900000000-30ea092962a8f3debe62	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 20V, Negative-QTOF	splash10-0006-9200000000-11054566f6cbc98039dd	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Aminohippuric acid 40V, Negative-QTOF	splash10-0006-9000000000-eef4c1f804c025cbb978	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	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

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Kidney
Pancreas

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	18.0 (5.0-283.0) uM	Adult (>18 years old)	Both	Normal	16169291	details
Feces	Detected but not Quantified	Not Quantified	Not Specified	Both	Normal	25486321	details
Urine	Detected and Quantified	0.3 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	19309105	details
Urine	Detected and Quantified	1.878 +/- 0.989 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	Analysis of 30 no...	details
Urine	Detected and Quantified	3.3 (1.0-7.2) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	24023812	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected and Quantified	2.328 +/- 0.508 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	Analysis of 30 no...	details

Associated Disorders and Diseases

Disease References

Eosinophilic esophagitis
Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.

Associated OMIM IDs

610247 (Eosinophilic esophagitis)

External Links

DrugBank ID

DB00345

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022720

KNApSAcK ID

Not Available

Chemspider ID

2063

KEGG Compound ID

D06890

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Aminohippuric_Acid

METLIN ID

6359

PubChem Compound

2148

PDB ID

Not Available

ChEBI ID

104011

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Barnabei, Ottavio; Cocito, Carlo. Synthesis of p-aminohippuric acid in presence of thyroxine and a hepatic factor. Ricerca sci. (1955), 25 3329-32.

Material Safety Data Sheet (MSDS)

Not Available

General References

Giudice PL, Dubourg L, Hadj-Aissa A, Said MH, Claris O, Audra P, Martin X, Cochat P: Renal function of children exposed to cyclosporin in utero. Nephrol Dial Transplant. 2000 Oct;15(10):1575-9. [PubMed:11007824 ]
Devaux S, Gellert S, Streichan F: [A new method for the determination of the maximal tubular transport of p-aminohippuric acid without urine analysis in children with transplanted kidney]. Z Urol Nephrol. 1984 Nov;77(11):639-46. [PubMed:6395558 ]
Gunston KD, Davey DD: The association between measured and clinically assessed amniotic fluid volume and fetal growth and nutrition. S Afr Med J. 1978 Sep 16;54(12):499-500. [PubMed:734583 ]
van Otterlo LC, Wladimiroff JW, Wallenburg HC: Relationship between fetal urine production and amniotic fluid volume in normal pregnancy and pregnancy complicated by diabetes. Br J Obstet Gynaecol. 1977 Mar;84(3):205-9. [PubMed:843496 ]
Malek RS, Wilkiemeyer RM, Boyce WH: The stone-forming kidney: a study of functional differences between individual kidneys in idiopathic renal lithiasis. J Urol. 1976 Jul;116(1):11-4. [PubMed:933268 ]
Stanley AJ, Forrest EH, Dabos K, Bouchier IA, Hayes PC: Natriuretic effect of an adenosine-1 receptor antagonist in cirrhotic patients with ascites. Gastroenterology. 1998 Aug;115(2):406-11. [PubMed:9679046 ]
Daniel SS, James LS, Strauss J: Response to rapid volume expansion during the postnatal period. Pediatrics. 1981 Dec;68(6):809-13. [PubMed:7198775 ]
Strauss J, Daniel SS, James LS: Postnatal adjustment in renal function. Pediatrics. 1981 Dec;68(6):802-8. [PubMed:7198774 ]
Edlund A, Ohlsen H, Sollevi A: Renal effects of local infusion of adenosine in man. Clin Sci (Lond). 1994 Aug;87(2):143-9. [PubMed:7924159 ]
Burckhardt G, Bahn A, Wolff NA: Molecular physiology of renal p-aminohippurate secretion. News Physiol Sci. 2001 Jun;16:114-8. [PubMed:11443229 ]
Izzedine H, Launay-Vacher V, Isnard-Bagnis C, Deray G: Drug-induced Fanconi's syndrome. Am J Kidney Dis. 2003 Feb;41(2):292-309. [PubMed:12552490 ]

Enzymes

Enzyme Details

1. Glycine N-acyltransferase

General function:: Involved in glycine N-acyltransferase activity
Specific function:: Mitochondrial acyltransferase which transfers an acyl group to the N-terminus of glycine and glutamine, although much less efficiently. Can conjugate numerous substrates to form a variety of N-acylglycines, with a preference for benzoyl-CoA over phenylacetyl-CoA as acyl donors. Thereby detoxify xenobiotics, such as benzoic acid or salicylic acid, and endogenous organic acids, such as isovaleric acid.
Gene Name:: GLYAT
Uniprot ID:: Q6IB77
Molecular weight:: 18506.33

Enzyme Details

2. Glycine N-acyltransferase-like protein 1

General function:: Involved in glycine N-acyltransferase activity
Specific function:: Acyltransferase which transfers an acyl group to the N-terminus of glutamine. Can use phenylacetyl-CoA as an acyl donor.
Gene Name:: GLYATL1
Uniprot ID:: Q969I3
Molecular weight:: 35100.895

Enzyme Details

3. Glycine N-acyltransferase-like protein 2

General function:: Involved in glycine N-acyltransferase activity
Specific function:: Mitochondrial acyltransferase which transfers the acyl group to the N-terminus of glycine. Conjugates numerous substrates, such as arachidonoyl-CoA and saturated medium and long-chain acyl-CoAs ranging from chain-length C8:0-CoA to C18:0-CoA, to form a variety of N-acylglycines. Shows a preference for monounsaturated fatty acid oleoyl-CoA (C18:1-CoA) as an acyl donor. Does not exhibit any activity toward C22:6-CoA and chenodeoxycholoyl-CoA, nor toward serine or alanine.
Gene Name:: GLYATL2
Uniprot ID:: Q8WU03
Molecular weight:: 34277.055

Enzyme Details

4. Glycine N-acyltransferase-like protein 3

General function:: Involved in glycine N-acyltransferase activity
Specific function:: Acyltransferase which transfers the acyl group to the N- terminus of glycine
Gene Name:: GLYATL3
Uniprot ID:: Q5SZD4
Molecular weight:: 32703.3

Showing metabocard for 4-Aminohippuric acid (HMDB0001867)

MOL for HMDB0001867 (4-Aminohippuric acid)

3D MOL for HMDB0001867 (4-Aminohippuric acid)

3D SDF for HMDB0001867 (4-Aminohippuric acid)

3D-SDF for HMDB0001867 (4-Aminohippuric acid)

PDB for HMDB0001867 (4-Aminohippuric acid)

3D PDB for HMDB0001867 (4-Aminohippuric acid)

SMILES for HMDB0001867 (4-Aminohippuric acid)

INCHI for HMDB0001867 (4-Aminohippuric acid)

Structure for HMDB0001867 (4-Aminohippuric acid)

3D Structure for HMDB0001867 (4-Aminohippuric acid)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes