Hmdb loader

Showing metabocard for Chlorowax 40 (HMDB0250128)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Show more...
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:06:13 UTC
Update Date2021-09-26 23:01:24 UTC
HMDB IDHMDB0250128
Secondary Accession NumbersNone
Metabolite Identification
Common NameChlorowax 40
DescriptionChlorowax 40, also known as cereclor, belongs to the class of organic compounds known as organochlorides. Organochlorides are compounds containing a chemical bond between a carbon atom and a chlorine atom. Based on a literature review very few articles have been published on Chlorowax 40. This compound has been identified in human blood as reported by (PMID: 31557052 ). Chlorowax 40 is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Chlorowax 40 is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0250128 (Chlorowax 40)

  Mrv1533004241523482D          

 30 29  0  0  0  0            999 V2000
   10.9461    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6605    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0895    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8039    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5184    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2329    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9474    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6618    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3763    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0908    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8052    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5197    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2342    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9487    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6631    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3776    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0921    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8065    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5210    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9499    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6644    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3789    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    6.3197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   22.3776    6.3197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.2342    8.3822    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.0908    6.3197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9474    8.3822    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.0895    8.3822    0.0000 Cl  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 17 26  1  0  0  0  0
 14 27  1  0  0  0  0
 11 28  1  0  0  0  0
  8 29  1  0  0  0  0
  4 30  1  0  0  0  0
M  END
Download

3D MOL for HMDB0250128 (Chlorowax 40)

HMDB0250128
     RDKit          3D
Chlorowax 40
 74 73  0  0  0  0  0  0  0  0999 V2000
   -7.1719   -1.0072   -3.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6281   -1.8033   -2.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9931   -1.2254   -1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4326    0.1944   -0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2197    0.2306   -0.7363 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.7609    1.0241    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7846    0.6997    1.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1701   -0.5361    2.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6926   -0.6653    1.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1408   -2.2052    2.4517 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8990    0.4718    2.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307    0.3052    2.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6560    1.4604    2.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2765    2.9601    1.9657 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718    1.2869    2.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    1.2224    1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788    1.0488    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751   -0.4476    1.5509 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4778    2.2408    1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    2.0092    0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2093    1.7171   -0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403    3.1421   -1.4204 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    1.5848   -0.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3822    0.5064   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8635   -0.8674   -0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9054   -1.3453   -1.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -3.0163   -1.7236 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2969   -1.4406   -2.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1746   -2.3910   -1.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5377   -2.3929   -2.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0284   -1.6143   -4.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1951   -0.5525   -3.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8891   -0.1737   -3.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7195   -1.7339   -2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3506   -2.8638   -2.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4124   -1.8701   -0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9230   -1.4003   -1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2492    0.6595   -1.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6911    1.2193   -0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1948    2.0909    0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8655    0.6848    1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3610    1.5615    2.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2501   -0.4717    3.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6804   -1.4371    1.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4968   -0.6847    0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3106    1.4172    1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9923    0.3807    3.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0551   -0.6325    2.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    0.2648    0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387    1.4891    3.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781    0.2852    2.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    2.0187    3.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042    0.3579    0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1497    2.1317    0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    0.9024   -0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2025    3.0943    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    2.6362    2.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530    1.1976    1.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569    2.9724    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    0.8484   -0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    2.5534   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586    1.4909   -1.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406    0.7281    1.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4557    0.5508   -0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327   -0.9949    0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4931   -1.5686    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2938   -0.7694   -2.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8105   -0.4868   -2.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1888   -1.8828   -3.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862   -3.4098   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3485   -1.9564   -0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4324   -2.6187   -3.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2331   -3.1098   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322   -1.3565   -2.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  6 39  1  0
  6 40  1  0
  7 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 16 54  1  0
 17 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 20 59  1  0
 21 60  1  0
 23 61  1  0
 23 62  1  0
 24 63  1  0
 24 64  1  0
 25 65  1  0
 25 66  1  0
 26 67  1  0
 28 68  1  0
 28 69  1  0
 29 70  1  0
 29 71  1  0
 30 72  1  0
 30 73  1  0
 30 74  1  0
M  END
Download

3D SDF for HMDB0250128 (Chlorowax 40)

  Mrv1533004241523482D          

 30 29  0  0  0  0            999 V2000
   10.9461    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6605    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0895    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8039    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5184    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2329    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9474    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6618    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3763    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0908    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8052    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5197    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2342    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9487    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6631    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3776    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0921    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8065    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5210    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9499    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6644    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3789    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    6.3197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   22.3776    6.3197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.2342    8.3822    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.0908    6.3197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9474    8.3822    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.0895    8.3822    0.0000 Cl  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 17 26  1  0  0  0  0
 14 27  1  0  0  0  0
 11 28  1  0  0  0  0
  8 29  1  0  0  0  0
  4 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0250128

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC

> <INCHI_IDENTIFIER>
InChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3

> <INCHI_KEY>
QKUNKVYPGIOQNP-UHFFFAOYSA-N

> <FORMULA>
C24H44Cl6

> <MOLECULAR_WEIGHT>
545.32

> <EXACT_MASS>
542.1574176

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
61.97577586704173

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,8,11,14,17,21-hexachlorotetracosane

> <ALOGPS_LOGP>
8.78

> <JCHEM_LOGP>
10.940613836666667

> <ALOGPS_LOGS>
-8.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
140.54919999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.77e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,8,11,14,17,21-hexachlorotetracosane

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0250128 (Chlorowax 40)

HMDB0250128
     RDKit          3D
Chlorowax 40
 74 73  0  0  0  0  0  0  0  0999 V2000
   -7.1719   -1.0072   -3.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6281   -1.8033   -2.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9931   -1.2254   -1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4326    0.1944   -0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2197    0.2306   -0.7363 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.7609    1.0241    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7846    0.6997    1.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1701   -0.5361    2.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6926   -0.6653    1.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1408   -2.2052    2.4517 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8990    0.4718    2.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307    0.3052    2.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6560    1.4604    2.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2765    2.9601    1.9657 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718    1.2869    2.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    1.2224    1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788    1.0488    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751   -0.4476    1.5509 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4778    2.2408    1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    2.0092    0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2093    1.7171   -0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403    3.1421   -1.4204 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    1.5848   -0.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3822    0.5064   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8635   -0.8674   -0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9054   -1.3453   -1.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -3.0163   -1.7236 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2969   -1.4406   -2.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1746   -2.3910   -1.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5377   -2.3929   -2.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0284   -1.6143   -4.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1951   -0.5525   -3.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8891   -0.1737   -3.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7195   -1.7339   -2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3506   -2.8638   -2.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4124   -1.8701   -0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9230   -1.4003   -1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2492    0.6595   -1.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6911    1.2193   -0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1948    2.0909    0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8655    0.6848    1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3610    1.5615    2.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2501   -0.4717    3.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6804   -1.4371    1.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4968   -0.6847    0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3106    1.4172    1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9923    0.3807    3.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0551   -0.6325    2.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    0.2648    0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387    1.4891    3.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781    0.2852    2.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    2.0187    3.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042    0.3579    0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1497    2.1317    0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    0.9024   -0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2025    3.0943    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    2.6362    2.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530    1.1976    1.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569    2.9724    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    0.8484   -0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    2.5534   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586    1.4909   -1.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406    0.7281    1.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4557    0.5508   -0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327   -0.9949    0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4931   -1.5686    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2938   -0.7694   -2.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8105   -0.4868   -2.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1888   -1.8828   -3.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862   -3.4098   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3485   -1.9564   -0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4324   -2.6187   -3.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2331   -3.1098   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322   -1.3565   -2.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  6 39  1  0
  6 40  1  0
  7 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 16 54  1  0
 17 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 20 59  1  0
 21 60  1  0
 23 61  1  0
 23 62  1  0
 24 63  1  0
 24 64  1  0
 25 65  1  0
 25 66  1  0
 26 67  1  0
 28 68  1  0
 28 69  1  0
 29 70  1  0
 29 71  1  0
 30 72  1  0
 30 73  1  0
 30 74  1  0
M  END
Download

PDB for HMDB0250128 (Chlorowax 40)

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      20.433  13.337   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      21.766  14.107   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.100  13.337   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      24.434  14.107   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      25.767  13.337   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      27.101  14.107   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.435  13.337   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      29.768  14.107   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      31.102  13.337   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      32.436  14.107   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      33.769  13.337   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      35.103  14.107   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      36.437  13.337   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      37.770  14.107   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      39.104  13.337   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      40.438  14.107   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      41.772  13.337   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      43.105  14.107   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      44.439  13.337   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      45.773  14.107   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      47.106  13.337   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      48.440  14.107   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      49.774  13.337   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      51.107  14.107   0.000  0.00  0.00           C+0
HETATM   25 Cl   UNK     0      47.106  11.797   0.000  0.00  0.00          Cl+0
HETATM   26 Cl   UNK     0      41.772  11.797   0.000  0.00  0.00          Cl+0
HETATM   27 Cl   UNK     0      37.770  15.647   0.000  0.00  0.00          Cl+0
HETATM   28 Cl   UNK     0      33.769  11.797   0.000  0.00  0.00          Cl+0
HETATM   29 Cl   UNK     0      29.768  15.647   0.000  0.00  0.00          Cl+0
HETATM   30 Cl   UNK     0      24.434  15.647   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   30                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   29                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   28                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   27                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   26                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   25                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   21                                                            
CONECT   26   17                                                            
CONECT   27   14                                                            
CONECT   28   11                                                            
CONECT   29    8                                                            
CONECT   30    4                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   58    0
END
Download

3D PDB for HMDB0250128 (Chlorowax 40)

COMPND    HMDB0250128
HETATM    1  C1  UNL     1      -7.172  -1.007  -3.516  1.00  0.00           C  
HETATM    2  C2  UNL     1      -7.628  -1.803  -2.329  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.993  -1.225  -1.024  1.00  0.00           C  
HETATM    4  C4  UNL     1      -7.433   0.194  -0.884  1.00  0.00           C  
HETATM    5 CL1  UNL     1      -9.220   0.231  -0.736  1.00  0.00          CL  
HETATM    6  C5  UNL     1      -6.761   1.024   0.119  1.00  0.00           C  
HETATM    7  C6  UNL     1      -6.785   0.700   1.547  1.00  0.00           C  
HETATM    8  C7  UNL     1      -6.170  -0.536   2.061  1.00  0.00           C  
HETATM    9  C8  UNL     1      -4.693  -0.665   1.757  1.00  0.00           C  
HETATM   10 CL2  UNL     1      -4.141  -2.205   2.452  1.00  0.00          CL  
HETATM   11  C9  UNL     1      -3.899   0.472   2.365  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.431   0.305   2.040  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.656   1.460   2.659  1.00  0.00           C  
HETATM   14 CL3  UNL     1      -2.277   2.960   1.966  1.00  0.00          CL  
HETATM   15  C12 UNL     1      -0.172   1.287   2.479  1.00  0.00           C  
HETATM   16  C13 UNL     1       0.193   1.222   1.018  1.00  0.00           C  
HETATM   17  C14 UNL     1       1.679   1.049   0.803  1.00  0.00           C  
HETATM   18 CL4  UNL     1       2.275  -0.448   1.551  1.00  0.00          CL  
HETATM   19  C15 UNL     1       2.478   2.241   1.176  1.00  0.00           C  
HETATM   20  C16 UNL     1       3.946   2.009   0.950  1.00  0.00           C  
HETATM   21  C17 UNL     1       4.209   1.717  -0.480  1.00  0.00           C  
HETATM   22 CL5  UNL     1       3.640   3.142  -1.420  1.00  0.00          CL  
HETATM   23  C18 UNL     1       5.679   1.585  -0.807  1.00  0.00           C  
HETATM   24  C19 UNL     1       6.382   0.506  -0.073  1.00  0.00           C  
HETATM   25  C20 UNL     1       5.864  -0.867  -0.294  1.00  0.00           C  
HETATM   26  C21 UNL     1       5.905  -1.345  -1.701  1.00  0.00           C  
HETATM   27 CL6  UNL     1       5.234  -3.016  -1.724  1.00  0.00          CL  
HETATM   28  C22 UNL     1       7.297  -1.441  -2.268  1.00  0.00           C  
HETATM   29  C23 UNL     1       8.175  -2.391  -1.492  1.00  0.00           C  
HETATM   30  C24 UNL     1       9.538  -2.393  -2.164  1.00  0.00           C  
HETATM   31  H1  UNL     1      -7.028  -1.614  -4.433  1.00  0.00           H  
HETATM   32  H2  UNL     1      -6.195  -0.552  -3.284  1.00  0.00           H  
HETATM   33  H3  UNL     1      -7.889  -0.174  -3.756  1.00  0.00           H  
HETATM   34  H4  UNL     1      -8.720  -1.734  -2.160  1.00  0.00           H  
HETATM   35  H5  UNL     1      -7.351  -2.864  -2.379  1.00  0.00           H  
HETATM   36  H6  UNL     1      -7.412  -1.870  -0.211  1.00  0.00           H  
HETATM   37  H7  UNL     1      -5.923  -1.400  -1.080  1.00  0.00           H  
HETATM   38  H8  UNL     1      -7.249   0.659  -1.944  1.00  0.00           H  
HETATM   39  H9  UNL     1      -5.691   1.219  -0.246  1.00  0.00           H  
HETATM   40  H10 UNL     1      -7.195   2.091   0.034  1.00  0.00           H  
HETATM   41  H11 UNL     1      -7.866   0.685   1.907  1.00  0.00           H  
HETATM   42  H12 UNL     1      -6.361   1.561   2.167  1.00  0.00           H  
HETATM   43  H13 UNL     1      -6.250  -0.472   3.199  1.00  0.00           H  
HETATM   44  H14 UNL     1      -6.680  -1.437   1.792  1.00  0.00           H  
HETATM   45  H15 UNL     1      -4.497  -0.685   0.683  1.00  0.00           H  
HETATM   46  H16 UNL     1      -4.311   1.417   1.992  1.00  0.00           H  
HETATM   47  H17 UNL     1      -3.992   0.381   3.475  1.00  0.00           H  
HETATM   48  H18 UNL     1      -2.055  -0.632   2.476  1.00  0.00           H  
HETATM   49  H19 UNL     1      -2.297   0.265   0.956  1.00  0.00           H  
HETATM   50  H20 UNL     1      -1.839   1.489   3.768  1.00  0.00           H  
HETATM   51  H21 UNL     1       0.078   0.285   2.909  1.00  0.00           H  
HETATM   52  H22 UNL     1       0.421   2.019   3.039  1.00  0.00           H  
HETATM   53  H23 UNL     1      -0.304   0.358   0.533  1.00  0.00           H  
HETATM   54  H24 UNL     1      -0.150   2.132   0.515  1.00  0.00           H  
HETATM   55  H25 UNL     1       1.774   0.902  -0.314  1.00  0.00           H  
HETATM   56  H26 UNL     1       2.203   3.094   0.487  1.00  0.00           H  
HETATM   57  H27 UNL     1       2.260   2.636   2.189  1.00  0.00           H  
HETATM   58  H28 UNL     1       4.253   1.198   1.642  1.00  0.00           H  
HETATM   59  H29 UNL     1       4.457   2.972   1.243  1.00  0.00           H  
HETATM   60  H30 UNL     1       3.686   0.848  -0.861  1.00  0.00           H  
HETATM   61  H31 UNL     1       6.152   2.553  -0.544  1.00  0.00           H  
HETATM   62  H32 UNL     1       5.759   1.491  -1.904  1.00  0.00           H  
HETATM   63  H33 UNL     1       6.341   0.728   1.015  1.00  0.00           H  
HETATM   64  H34 UNL     1       7.456   0.551  -0.349  1.00  0.00           H  
HETATM   65  H35 UNL     1       4.833  -0.995   0.093  1.00  0.00           H  
HETATM   66  H36 UNL     1       6.493  -1.569   0.317  1.00  0.00           H  
HETATM   67  H37 UNL     1       5.294  -0.769  -2.402  1.00  0.00           H  
HETATM   68  H38 UNL     1       7.811  -0.487  -2.375  1.00  0.00           H  
HETATM   69  H39 UNL     1       7.189  -1.883  -3.290  1.00  0.00           H  
HETATM   70  H40 UNL     1       7.786  -3.410  -1.434  1.00  0.00           H  
HETATM   71  H41 UNL     1       8.349  -1.956  -0.468  1.00  0.00           H  
HETATM   72  H42 UNL     1       9.432  -2.619  -3.244  1.00  0.00           H  
HETATM   73  H43 UNL     1      10.233  -3.110  -1.681  1.00  0.00           H  
HETATM   74  H44 UNL     1       9.932  -1.356  -2.103  1.00  0.00           H  
CONECT    1    2   31   32   33
CONECT    2    3   34   35
CONECT    3    4   36   37
CONECT    4    5    6   38
CONECT    6    7   39   40
CONECT    7    8   41   42
CONECT    8    9   43   44
CONECT    9   10   11   45
CONECT   11   12   46   47
CONECT   12   13   48   49
CONECT   13   14   15   50
CONECT   15   16   51   52
CONECT   16   17   53   54
CONECT   17   18   19   55
CONECT   19   20   56   57
CONECT   20   21   58   59
CONECT   21   22   23   60
CONECT   23   24   61   62
CONECT   24   25   63   64
CONECT   25   26   65   66
CONECT   26   27   28   67
CONECT   28   29   68   69
CONECT   29   30   70   71
CONECT   30   72   73   74
END
Download

SMILES for HMDB0250128 (Chlorowax 40)

CCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC
Download

INCHI for HMDB0250128 (Chlorowax 40)

InChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
CereclorMeSH
Chemical FormulaC24H44Cl6
Average Molecular Weight545.32
Monoisotopic Molecular Weight542.1574176
IUPAC Name4,8,11,14,17,21-hexachlorotetracosane
Traditional Name4,8,11,14,17,21-hexachlorotetracosane
CAS Registry NumberNot Available
SMILES
CCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC
InChI Identifier
InChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3
InChI KeyQKUNKVYPGIOQNP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as organochlorides. Organochlorides are compounds containing a chemical bond between a carbon atom and a chlorine atom.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassOrganochlorides
Sub ClassNot Available
Direct ParentOrganochlorides
Alternative Parents
Substituents
  • Hydrocarbon derivative
  • Organochloride
  • Alkyl halide
  • Alkyl chloride
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
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
logP8.78ALOGPS
logP10.94ChemAxon
logS-9ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count21ChemAxon
Refractivity140.55 m³·mol⁻¹ChemAxon
Polarizability61.98 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chlorowax 40 10V, Positive-QTOFsplash10-0006-0000090000-b68fc2c2beb7be7d370e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chlorowax 40 20V, Positive-QTOFsplash10-0006-5000490000-9aae4ac4d483f9880e732021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chlorowax 40 40V, Positive-QTOFsplash10-001l-8921200000-a4a726fe2a7d45f3f5982021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chlorowax 40 10V, Negative-QTOFsplash10-00kf-0000390000-ac1b50d39d8a27e460912021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chlorowax 40 20V, Negative-QTOFsplash10-0536-4000290000-0b419c7c69ab1a89139d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chlorowax 40 40V, Negative-QTOFsplash10-014i-3000920000-ae4c50ecf7836572653c2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID5020636
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6537497
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. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]