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Showing metabocard for (Z)-10-Hydroxy-8-decene-4,6-diynoic acid (HMDB0031055)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:40:42 UTC
Update Date2023-02-21 17:19:52 UTC
HMDB IDHMDB0031055
Secondary Accession Numbers
  • HMDB31055
Metabolite Identification
Common Name(Z)-10-Hydroxy-8-decene-4,6-diynoic acid
Description(Z)-10-Hydroxy-8-decene-4,6-diynoic acid, also known as (Z)-helianthenate F, 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 small amount of articles have been published on (Z)-10-Hydroxy-8-decene-4,6-diynoic acid.
Structure
Data?1676999992
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0031055 ((Z)-10-Hydroxy-8-decene-4,6-diynoic acid)


  Mrv0541 05061305412D          

 13 12  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -5.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  3  0  0  0  0
  4  2  3  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0031055 ((Z)-10-Hydroxy-8-decene-4,6-diynoic acid)

HMDB0031055
     RDKit          3D
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
    5.2656   -1.5842    0.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0558   -0.4844   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0779    0.3763   -0.5322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775   -0.0564   -0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610   -1.1089    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2945   -0.6542   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714   -0.2582   -0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1362    0.2277   -0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549    0.6437   -1.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5645    1.1505   -1.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5830    0.6510   -0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3251   -0.3962    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7881    0.1293    1.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9549    1.3523   -0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833    0.8276    0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062    0.2537   -1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550   -1.1761    1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016   -2.0511   -0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006    1.9336   -2.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5815    1.0274   -0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2438   -0.5977    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8935   -1.3352    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335    1.1296    1.5796 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  3  0
  7  8  1  0
  8  9  3  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
M  END
Download

3D SDF for HMDB0031055 ((Z)-10-Hydroxy-8-decene-4,6-diynoic acid)


  Mrv0541 05061305412D          

 13 12  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -5.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  3  0  0  0  0
  4  2  3  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0031055

> <DATABASE_NAME>
hmdb

> <SMILES>
OC\C=C/C#CC#CCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,6,8-9H2,(H,12,13)/b7-5-

> <INCHI_KEY>
JIPUTTVWDAXSEZ-ALCCZGGFSA-N

> <FORMULA>
C10H10O3

> <MOLECULAR_WEIGHT>
178.1846

> <EXACT_MASS>
178.062994186

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
18.952325214452113

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(8Z)-10-hydroxydec-8-en-4,6-diynoic acid

> <ALOGPS_LOGP>
1.27

> <JCHEM_LOGP>
1.1158913036666662

> <ALOGPS_LOGS>
-3.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.57450575297942

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5847933788534343

> <JCHEM_PKA_STRONGEST_BASIC>
-2.547577830333422

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
51.0917

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.74e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(8Z)-10-hydroxydec-8-en-4,6-diynoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0031055 ((Z)-10-Hydroxy-8-decene-4,6-diynoic acid)

HMDB0031055
     RDKit          3D
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
    5.2656   -1.5842    0.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0558   -0.4844   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0779    0.3763   -0.5322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775   -0.0564   -0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610   -1.1089    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2945   -0.6542   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714   -0.2582   -0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1362    0.2277   -0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549    0.6437   -1.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5645    1.1505   -1.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5830    0.6510   -0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3251   -0.3962    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7881    0.1293    1.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9549    1.3523   -0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833    0.8276    0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062    0.2537   -1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550   -1.1761    1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016   -2.0511   -0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006    1.9336   -2.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5815    1.0274   -0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2438   -0.5977    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8935   -1.3352    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335    1.1296    1.5796 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  3  0
  7  8  1  0
  8  9  3  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
M  END
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PDB for HMDB0031055 ((Z)-10-Hydroxy-8-decene-4,6-diynoic acid)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       3.080  -2.667   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.850  -4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.620  -5.335   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.390  -6.668   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.930  -6.668   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.700  -8.002   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.310  -1.334   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       9.240  -8.002   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       6.930  -9.336   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5    9                                                       
CONECT    8    6   10                                                       
CONECT    9    7   11                                                       
CONECT   10    8   12   13                                                  
CONECT   11    9                                                            
CONECT   12   10                                                            
CONECT   13   10                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0031055 ((Z)-10-Hydroxy-8-decene-4,6-diynoic acid)

COMPND    HMDB0031055
HETATM    1  O1  UNL     1       5.266  -1.584   0.377  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.056  -0.484  -0.165  1.00  0.00           C  
HETATM    3  O2  UNL     1       6.078   0.376  -0.532  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.677  -0.056  -0.437  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.661  -1.109   0.024  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.295  -0.654  -0.261  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.171  -0.258  -0.497  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.136   0.228  -0.780  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.255   0.644  -1.015  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.564   1.150  -1.309  1.00  0.00           C  
HETATM   11  C9  UNL     1      -4.583   0.651  -0.641  1.00  0.00           C  
HETATM   12  C10 UNL     1      -4.325  -0.396   0.367  1.00  0.00           C  
HETATM   13  O3  UNL     1      -4.788   0.129   1.597  1.00  0.00           O  
HETATM   14  H1  UNL     1       5.955   1.352  -0.687  1.00  0.00           H  
HETATM   15  H2  UNL     1       3.483   0.828   0.239  1.00  0.00           H  
HETATM   16  H3  UNL     1       3.506   0.254  -1.473  1.00  0.00           H  
HETATM   17  H4  UNL     1       2.755  -1.176   1.111  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.902  -2.051  -0.510  1.00  0.00           H  
HETATM   19  H6  UNL     1      -3.701   1.934  -2.072  1.00  0.00           H  
HETATM   20  H7  UNL     1      -5.581   1.027  -0.855  1.00  0.00           H  
HETATM   21  H8  UNL     1      -3.244  -0.598   0.408  1.00  0.00           H  
HETATM   22  H9  UNL     1      -4.894  -1.335   0.127  1.00  0.00           H  
HETATM   23  H10 UNL     1      -4.734   1.130   1.580  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5   15   16
CONECT    5    6   17   18
CONECT    6    7    7    7
CONECT    7    8
CONECT    8    9    9    9
CONECT    9   10
CONECT   10   11   11   19
CONECT   11   12   20
CONECT   12   13   21   22
CONECT   13   23
END
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SMILES for HMDB0031055 ((Z)-10-Hydroxy-8-decene-4,6-diynoic acid)

OC\C=C/C#CC#CCCC(O)=O
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INCHI for HMDB0031055 ((Z)-10-Hydroxy-8-decene-4,6-diynoic acid)

InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,6,8-9H2,(H,12,13)/b7-5-
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(Z)-10-Hydroxy-8-decene-4,6-diynoateGenerator
10-Hydroxy-8Z-decene-4,6-diynoateHMDB
(Z)-Helianthenate FHMDB
Chemical FormulaC10H10O3
Average Molecular Weight178.1846
Monoisotopic Molecular Weight178.062994186
IUPAC Name(8Z)-10-hydroxydec-8-en-4,6-diynoic acid
Traditional Name(8Z)-10-hydroxydec-8-en-4,6-diynoic acid
CAS Registry Number51193-97-6
SMILES
OC\C=C/C#CC#CCCC(O)=O
InChI Identifier
InChI=1S/C10H10O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,6,8-9H2,(H,12,13)/b7-5-
InChI KeyJIPUTTVWDAXSEZ-ALCCZGGFSA-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
  • Hydroxy fatty acid
  • Unsaturated fatty acid
  • Straight chain fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.087 g/LALOGPS
logP1.27ALOGPS
logP1.12ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)3.58ChemAxon
pKa (Strongest Basic)-2.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity51.09 m³·mol⁻¹ChemAxon
Polarizability18.95 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+144.55631661259
DarkChem[M-H]-142.38831661259
DeepCCS[M+H]+130.50130932474
DeepCCS[M-H]-126.67230932474
DeepCCS[M-2H]-163.72930932474
DeepCCS[M+Na]+139.22430932474
AllCCS[M+H]+137.932859911
AllCCS[M+H-H2O]+134.032859911
AllCCS[M+NH4]+141.532859911
AllCCS[M+Na]+142.632859911
AllCCS[M-H]-139.032859911
AllCCS[M+Na-2H]-140.132859911
AllCCS[M+HCOO]-141.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(Z)-10-Hydroxy-8-decene-4,6-diynoic acidOC\C=C/C#CC#CCCC(O)=O2940.3Standard polar33892256
(Z)-10-Hydroxy-8-decene-4,6-diynoic acidOC\C=C/C#CC#CCCC(O)=O1703.3Standard non polar33892256
(Z)-10-Hydroxy-8-decene-4,6-diynoic acidOC\C=C/C#CC#CCCC(O)=O1836.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid,1TMS,isomer #1C[Si](C)(C)OC/C=C\C#CC#CCCC(=O)O1946.3Semi standard non polar33892256
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)CCC#CC#C/C=C\CO1867.0Semi standard non polar33892256
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid,2TMS,isomer #1C[Si](C)(C)OC/C=C\C#CC#CCCC(=O)O[Si](C)(C)C2004.7Semi standard non polar33892256
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC/C=C\C#CC#CCCC(=O)O2176.3Semi standard non polar33892256
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC#CC#C/C=C\CO2102.9Semi standard non polar33892256
(Z)-10-Hydroxy-8-decene-4,6-diynoic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC/C=C\C#CC#CCCC(=O)O[Si](C)(C)C(C)(C)C2415.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ilc-3900000000-6bd34cc816a95acb7e332017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid GC-MS (2 TMS) - 70eV, Positivesplash10-05j3-9361000000-b4d22d555ed141ce08702017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 10V, Positive-QTOFsplash10-03fr-0900000000-cf8b38307f25f09a03322016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 20V, Positive-QTOFsplash10-02tc-2900000000-1d0379f462e619bbce462016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 40V, Positive-QTOFsplash10-0v00-9300000000-2866d78469fc907e3ace2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 10V, Negative-QTOFsplash10-004i-0900000000-1ba883145fd2122d7b4f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 20V, Negative-QTOFsplash10-056r-2900000000-e92191ccfa136abb112e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 40V, Negative-QTOFsplash10-052f-9500000000-8bf033cf2168101c6b0a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 10V, Positive-QTOFsplash10-00n0-7900000000-85cd67c05b24aa8d7c5b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 20V, Positive-QTOFsplash10-004r-9300000000-2ce313a5eeba5966d27c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 40V, Positive-QTOFsplash10-004r-9200000000-939728b52f2f7709a6ab2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 10V, Negative-QTOFsplash10-004i-0900000000-7481e6c74c4c2d2def192021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 20V, Negative-QTOFsplash10-0pyi-2900000000-5f34cefba25c54263b2a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-10-Hydroxy-8-decene-4,6-diynoic acid 40V, Negative-QTOFsplash10-029i-9300000000-e2000db9c391618562052021-09-23Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003056
KNApSAcK IDNot Available
Chemspider ID7822572
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound9543622
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.