Hmdb loader

Showing metabocard for Suberic acid (HMDB0000893)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Show more...Show more...Show more...Show more...Show more...Show more...Show more...
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:16 UTC
HMDB IDHMDB0000893
Secondary Accession Numbers
  • HMDB0000837
  • HMDB00837
  • HMDB00893
Metabolite Identification
Common NameSuberic acid
DescriptionSuberic acid, also octanedioic acid, is a dicarboxylic acid, with formula C6H12(COOH)2. It is present in the urine of patients with fatty acid oxidation disorders (PMID 10404733 ). A metabolic breakdown product derived from oleic acid. Elevated levels of this unstaruated dicarboxylic acid are found in individuals with medium-chain acyl-CoA dehydrogenase deficiency (MCAD). Suberic acid is also found to be associated with carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, which are also inborn errors of metabolism.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000893 (Suberic acid)

Suberylglycine.mol
  Mrv1652305271900292D          

 12 11  0  0  0  0            999 V2000
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000893 (Suberic acid)

HMDB0000893
     RDKit          3D
Suberic acid
 26 25  0  0  0  0  0  0  0  0999 V2000
   -5.4201   -0.9684   -0.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3230   -0.3840    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2567    0.8616    0.6465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818   -1.0675   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -0.1790   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5883   -0.7910   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748    0.1884   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714   -0.2720   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    0.8455   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175    0.5282   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5350   -0.5571   -0.8311 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632    1.4732    0.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1779    1.7303    0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -1.4114   -1.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9789   -1.9595    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324    0.0873    1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839    0.7902   -0.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -1.8010   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5754   -0.9012   -1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2663    1.1400   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4569    0.3051    1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814   -1.1972    0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823   -0.4878   -1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4846    1.7516   -0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6009    1.0237    1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7563    1.2518    0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
 12 26  1  0
M  END
Download

3D SDF for HMDB0000893 (Suberic acid)

Suberylglycine.mol
  Mrv1652305271900292D          

 12 11  0  0  0  0            999 V2000
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000893

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(=O)CCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

> <INCHI_KEY>
TYFQFVWCELRYAO-UHFFFAOYSA-N

> <FORMULA>
C8H14O4

> <MOLECULAR_WEIGHT>
174.1944

> <EXACT_MASS>
174.089208936

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.405846750757185

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
octanedioic acid

> <ALOGPS_LOGP>
1.00

> <JCHEM_LOGP>
1.3797916926666662

> <ALOGPS_LOGS>
-1.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.902710375357985

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.1505445591908465

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
41.941

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.80e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
suberic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000893 (Suberic acid)

HMDB0000893
     RDKit          3D
Suberic acid
 26 25  0  0  0  0  0  0  0  0999 V2000
   -5.4201   -0.9684   -0.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3230   -0.3840    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2567    0.8616    0.6465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818   -1.0675   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -0.1790   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5883   -0.7910   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748    0.1884   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714   -0.2720   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    0.8455   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175    0.5282   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5350   -0.5571   -0.8311 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632    1.4732    0.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1779    1.7303    0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -1.4114   -1.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9789   -1.9595    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324    0.0873    1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839    0.7902   -0.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -1.8010   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5754   -0.9012   -1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2663    1.1400   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4569    0.3051    1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814   -1.1972    0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823   -0.4878   -1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4846    1.7516   -0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6009    1.0237    1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7563    1.2518    0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
 12 26  1  0
M  END
Download

PDB for HMDB0000893 (Suberic acid)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Suberylglycine.mol                                
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667  -1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -4.001   0.770   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -5.335  -1.540   0.000  0.00  0.00           O+0
CONECT    1    2    9   10                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7   11   12                                                  
CONECT    9    1                                                            
CONECT   10    1                                                            
CONECT   11    8                                                            
CONECT   12    8                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
Download

3D PDB for HMDB0000893 (Suberic acid)

COMPND    HMDB0000893
HETATM    1  O1  UNL     1      -5.420  -0.968  -0.099  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.323  -0.384   0.072  1.00  0.00           C  
HETATM    3  O2  UNL     1      -4.257   0.862   0.647  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.082  -1.068  -0.362  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.912  -0.179  -0.056  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.588  -0.791  -0.465  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.475   0.188  -0.106  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.871  -0.272  -0.451  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.798   0.846  -0.015  1.00  0.00           C  
HETATM   10  C8  UNL     1       4.218   0.528  -0.295  1.00  0.00           C  
HETATM   11  O3  UNL     1       4.535  -0.557  -0.831  1.00  0.00           O  
HETATM   12  O4  UNL     1       5.163   1.473   0.058  1.00  0.00           O  
HETATM   13  H1  UNL     1      -4.178   1.730   0.113  1.00  0.00           H  
HETATM   14  H2  UNL     1      -3.120  -1.411  -1.395  1.00  0.00           H  
HETATM   15  H3  UNL     1      -2.979  -1.959   0.326  1.00  0.00           H  
HETATM   16  H4  UNL     1      -1.832   0.087   1.001  1.00  0.00           H  
HETATM   17  H5  UNL     1      -1.984   0.790  -0.623  1.00  0.00           H  
HETATM   18  H6  UNL     1      -0.438  -1.801  -0.041  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.575  -0.901  -1.587  1.00  0.00           H  
HETATM   20  H8  UNL     1       0.266   1.140  -0.592  1.00  0.00           H  
HETATM   21  H9  UNL     1       0.457   0.305   1.012  1.00  0.00           H  
HETATM   22  H10 UNL     1       2.081  -1.197   0.132  1.00  0.00           H  
HETATM   23  H11 UNL     1       1.982  -0.488  -1.538  1.00  0.00           H  
HETATM   24  H12 UNL     1       2.485   1.752  -0.561  1.00  0.00           H  
HETATM   25  H13 UNL     1       2.601   1.024   1.059  1.00  0.00           H  
HETATM   26  H14 UNL     1       5.756   1.252   0.866  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5   14   15
CONECT    5    6   16   17
CONECT    6    7   18   19
CONECT    7    8   20   21
CONECT    8    9   22   23
CONECT    9   10   24   25
CONECT   10   11   11   12
CONECT   12   26
END
Download

SMILES for HMDB0000893 (Suberic acid)

OC(=O)CCCCCCC(O)=O
Download

INCHI for HMDB0000893 (Suberic acid)

InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
Chemical FormulaC8H14O4
Average Molecular Weight174.1944
Monoisotopic Molecular Weight174.089208936
IUPAC Nameoctanedioic acid
Traditional Namesuberic acid
CAS Registry Number505-48-6
SMILES
OC(=O)CCCCCCC(O)=O
InChI Identifier
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChI KeyTYFQFVWCELRYAO-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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Dicarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point144 °CNot Available
Boiling Point345.50 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility11.9 mg/mLNot Available
LogP0.687 (est)The Good Scents Company Information System
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_train_neg133.19530932474
[M-H]-Not Available135.3http://allccs.zhulab.cn/database/detail?ID=AllCCS00000224
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Urine
Tissue Locations
  • Prostate
Pathways
Normal Concentrations
Abnormal Concentrations
Associated Disorders and Diseases
Disease References
3-Hydroxydicarboxylic aciduria
  1. Hagenfeldt L, von Dobeln U, Holme E, Alm J, Brandberg G, Enocksson E, Lindeberg L: 3-Hydroxydicarboxylic aciduria--a fatty acid oxidation defect with severe prognosis. J Pediatr. 1990 Mar;116(3):387-92. [PubMed:2308028 ]
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 ]
  2. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  3. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Anorexia nervosa
  1. Capo-chichi CD, Gueant JL, Lefebvre E, Bennani N, Lorentz E, Vidailhet C, Vidailhet M: Riboflavin and riboflavin-derived cofactors in adolescent girls with anorexia nervosa. Am J Clin Nutr. 1999 Apr;69(4):672-8. [PubMed:10197568 ]
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Schizophrenia
  1. Yang J, Chen T, Sun L, Zhao Z, Qi X, Zhou K, Cao Y, Wang X, Qiu Y, Su M, Zhao A, Wang P, Yang P, Wu J, Feng G, He L, Jia W, Wan C: Potential metabolite markers of schizophrenia. Mol Psychiatry. 2013 Jan;18(1):67-78. doi: 10.1038/mp.2011.131. Epub 2011 Oct 25. [PubMed:22024767 ]
Medium Chain Acyl-CoA Dehydrogenase Deficiency
  1. Tserng KY, Jin SJ, Kerr DS, Hoppel CL: Abnormal urinary excretion of unsaturated dicarboxylic acids in patients with medium-chain acyl-CoA dehydrogenase deficiency. J Lipid Res. 1990 May;31(5):763-71. [PubMed:2380628 ]
  2. Gregersen N, Kolvraa S, Rasmussen K, Mortensen PB, Divry P, David M, Hobolth N: General (medium-chain) acyl-CoA dehydrogenase deficiency (non-ketotic dicarboxylic aciduria): quantitative urinary excretion pattern of 23 biologically significant organic acids in three cases. Clin Chim Acta. 1983 Aug 15;132(2):181-91. [PubMed:6616873 ]
  3. Duran M, De Klerk JB, Wadman SK, Bruinvis L, Ketting D: The differential diagnosis of dicarboxylic aciduria. J Inherit Metab Dis. 1984;7 Suppl 1:48-51. [PubMed:6434845 ]
Malonyl-Coa decarboxylase deficiency
  1. Haan EA, Scholem RD, Croll HB, Brown GK: Malonyl coenzyme A decarboxylase deficiency. Clinical and biochemical findings in a second child with a more severe enzyme defect. Eur J Pediatr. 1986 Apr;144(6):567-70. [PubMed:3709568 ]
Carnitine-acylcarnitine translocase deficiency
  1. Stanley CA, Hale DE, Berry GT, Deleeuw S, Boxer J, Bonnefont JP: Brief report: a deficiency of carnitine-acylcarnitine translocase in the inner mitochondrial membrane. N Engl J Med. 1992 Jul 2;327(1):19-23. [PubMed:1598097 ]
  2. Ogier de Baulny H, Slama A, Touati G, Turnbull DM, Pourfarzam M, Brivet M: Neonatal hyperammonemia caused by a defect of carnitine-acylcarnitine translocase. J Pediatr. 1995 Nov;127(5):723-8. [PubMed:7472823 ]
3-Hydroxy-3-Methylglutaryl-CoA Synthase Deficiency
  1. Conboy E, Vairo F, Schultz M, Agre K, Ridsdale R, Deyle D, Oglesbee D, Gavrilov D, Klee EW, Lanpher B: Mitochondrial 3-Hydroxy-3-Methylglutaryl-CoA Synthase Deficiency: Unique Presenting Laboratory Values and a Review of Biochemical and Clinical Features. JIMD Rep. 2017 Oct 14. doi: 10.1007/8904_2017_59. [PubMed:29030856 ]
Associated OMIM IDs
  • 114500 (Colorectal cancer)
  • 606788 (Anorexia nervosa)
  • 610247 (Eosinophilic esophagitis)
  • 181500 (Schizophrenia)
  • 201450 (Medium Chain Acyl-CoA Dehydrogenase Deficiency)
  • 248360 (Malonyl-Coa decarboxylase deficiency)
  • 212138 (Carnitine-acylcarnitine translocase deficiency)
  • 605911 (3-Hydroxy-3-Methylglutaryl-CoA Synthase Deficiency)
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003340
KNApSAcK IDC00001204
Chemspider ID10025
KEGG Compound IDC08278
BioCyc IDCPD0-1264
BiGG IDNot Available
Wikipedia LinkSuberic_acid
METLIN ID4243
PubChem Compound10457
PDB IDNot Available
ChEBI ID9300
Food Biomarker OntologyNot Available
VMH IDSUBEAC
MarkerDB IDMDB00000276
Good Scents IDrw1284661
References
Synthesis ReferenceAyorinde, Folahan O.; Osman, Gamal; Shepard, Robert L.; Powers, Fiona T. Synthesis of azelaic acid and suberic acid from Vernonia galamensis oil. JAOCS, J. Am. Oil Chem. Soc. (1988), 65(11), 1774-7.
Material Safety Data Sheet (MSDS)Not Available
General References