Bovine Metabolome Database: Showing metabocard for Aminocaproic acid (BMDB0001901)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 22:48:49 UTC

Update Date

2020-05-11 19:56:59 UTC

BMDB ID

BMDB0001901

Secondary Accession Numbers

BMDB01901

Metabolite Identification

Common Name

Aminocaproic acid

Description

Aminocaproic acid, also known as amicar or aminohexanoic acid, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Based on a literature review a significant number of articles have been published on Aminocaproic acid.

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
6-Aminocaproic acid	ChEBI
Acide aminocaproque	ChEBI
Acido aminocaproico	ChEBI
Acidum aminocaproicum	ChEBI
Ahx	ChEBI
Amicar	ChEBI
Amikar	ChEBI
AMINOCAPROIC	ChEBI
Aminohexanoic acid	ChEBI
Capralense	ChEBI
Capramol	ChEBI
Caproamin	ChEBI
Caprocid	ChEBI
Caprolisin	ChEBI
EACA	ChEBI
Epsamon	ChEBI
Epsicaprom	ChEBI
Epsicapron	ChEBI
Epsikapron	ChEBI
Epsilcapramin	ChEBI
Epsilcapramine	ChEBI
Epsilon S	ChEBI
epsilon-Ahx	ChEBI
epsilon-Amino-N-hexanoic acid	ChEBI
epsilon-Aminocaproic acid	ChEBI
epsilon-Aminohexanoic acid	ChEBI
epsilon-Leucine	ChEBI
epsilon-Norleucine	ChEBI
Omega-aminocaproic acid	ChEBI
Omega-aminohexanoic acid	ChEBI
Respramin	ChEBI
Z	ChEBI
6-Aminohexanoic acid	Kegg
6-Aminocaproate	Generator
Aminohexanoate	Generator
epsilon-Amino-N-hexanoate	Generator
epsilon-Aminocaproate	Generator
epsilon-Aminohexanoate	Generator
Omega-aminocaproate	Generator
Omega-aminohexanoate	Generator
6-Aminohexanoate	Generator
Aminocaproate	Generator
6 Aminocaproic acid	MeSH
6 Aminohexanoic acid	MeSH
Caprolest	MeSH
Hemocaprol	MeSH
Hexalense	MeSH
epsilon Aminocaproic acid	MeSH
6-amino-Hexanoate	HMDB
6-amino-Hexanoic acid	HMDB
6-amino-N-Hexanoate	HMDB
6-amino-N-Hexanoic acid	HMDB
Acepramin	HMDB
Acepramine	HMDB
Acikaprin	HMDB
Afibrin	HMDB
Aminokapron	HMDB
Atsemin	HMDB
Caplamin	HMDB
Capracid	HMDB
Capranol	HMDB
e-amino-N-Hexanoate	HMDB
e-amino-N-Hexanoic acid	HMDB
e-Aminocaproate	HMDB
e-Aminocaproic acid	HMDB
e-Aminocaproic acid usp	HMDB
e-Aminohexanoate	HMDB
e-Aminohexanoic acid	HMDB
e-Leucine	HMDB
e-Norleucine	HMDB
Epsillon-aminocaproate	HMDB
Epsillon-aminocaproic acid	HMDB
Epsillon-aminocaproic acid' epsilcapramin	HMDB
epsilon-Aminocaproic acid usp	HMDB
epsilon-S	HMDB
H-6-Ahx-OH	HMDB
H-EAhx-OH	HMDB
H-epsilon-Acp-OH	HMDB
Hemopar	HMDB
Hepin	HMDB
Ipsilon	HMDB
W-Aminocaproate	HMDB
W-Aminocaproic acid	HMDB
W-Aminohexanoate	HMDB
W-Aminohexanoic acid	HMDB
Pharmachemie brand OF aminocaproic acid	MeSH, HMDB
Delagrange brand OF aminocaproic acid	MeSH, HMDB
Leurquin brand OF aminocaproic acid	MeSH, HMDB
Rottapharm brand OF aminocaproic acid	MeSH, HMDB
Sanofi winthrop brand OF aminocaproic acid	MeSH, HMDB

Chemical Formula

C₆H₁₃NO₂

Average Molecular Weight

131.1729

Monoisotopic Molecular Weight

131.094628665

IUPAC Name

6-aminohexanoic acid

Traditional Name

aminocaproic acid

CAS Registry Number

60-32-2

SMILES

NCCCCCC(O)=O

InChI Identifier

InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)

InChI Key

SLXKOJJOQWFEFD-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents

Substituents

Medium-chain fatty acid
Amino fatty acid
Straight chain fatty acid
Amino acid or derivatives
Amino acid
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Primary amine
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Primary aliphatic amine
Amine
Carbonyl group
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

omega-amino fatty acid (CHEBI:16586 )
epsilon-amino acid (CHEBI:16586 )
Amino fatty acids (C02378 )
Amino fatty acids (LMFA01100035 )

Ontology

Status

Expected but not Quantified

Origin

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Adiposome
Cell membrane
Cytoplasm
Membrane

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	205 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	505.0 mg/mL at 25 °C	Not Available
LogP	-2.95	HANSCH,C ET AL. (1995)

Predicted Properties

Property	Value	Source
logP	-2.7	ALOGPS
logP	-2	ChemAxon
logS	-0.46	ALOGPS
pKa (Strongest Acidic)	4.73	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	34.66 m³·mol⁻¹	ChemAxon
Polarizability	14.71 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon