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Showing metabocard for (11Z)-Eicoseneoylcarnitine (HMDB0240746)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-02-24 00:13:09 UTC
Update Date2022-10-24 19:44:15 UTC
HMDB IDHMDB0240746
Secondary Accession NumbersNone
Metabolite Identification
Common Name(11Z)-Eicoseneoylcarnitine
Description(11Z)-Eicoseneoylcarnitine is an acylcarnitine. More specifically, it is an cis-11-eicosenoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279 ). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review (PMID: 35710135 ), acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (11Z)-Eicoseneoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (11Z)-Eicoseneoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748 ). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulin's inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774 ). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903 ). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394 ). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available (PMID: 35710135 ).
Structure
Data?1614134500
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0240746 ((11Z)-Eicoseneoylcarnitine)


  Mrv1652302242101132D          

 34 33  0  0  0  0            999 V2000
    8.3309    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    1.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9362    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5862    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    2.7474    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.7612    6.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    4.8099    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.6177    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
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 28  3  1  0  0  0  0
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 32 25  1  0  0  0  0
 32 27  1  0  0  0  0
 33 12  1  0  0  0  0
 34 13  1  0  0  0  0
M  CHG  2  28   1  30  -1
M  END
Download

3D MOL for HMDB0240746 ((11Z)-Eicoseneoylcarnitine)

HMDB0240746
     RDKit          3D
(11Z)-Eicoseneoylcarnitine
 83 82  0  0  0  0  0  0  0  0999 V2000
   10.0558    2.3823    1.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9636    0.9022    2.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2143    0.0976    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.3696   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7836    0.0232    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9413    0.3397   -0.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4956    0.2011   -0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -1.0795   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6949   -1.7793    1.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9563   -1.0905    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1532    1.4480   -1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139    0.6923   -1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7857   -1.1130   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -2.0989    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1485   -2.7737    1.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742   -1.1841    2.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730   -1.8007   -0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401   -0.1066    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979   -1.9716    1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3164    0.7689   -0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558    0.0602    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9000   -0.9409   -1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890   -2.9279   -0.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4317   -1.9481   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6463   -0.2898   -2.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8209   -1.7009   -3.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083   -0.6017   -2.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9143   -2.3224   -2.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7930   -0.0660    1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6171    1.9076    1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9280    2.8131    0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9774    0.6970    1.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9324   -0.6414    0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2628    0.3919    1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7412    2.0535    1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6534    1.7441   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8049    0.6888   -1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5444   -0.6876   -0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2107   -0.2220   -1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1646    2.5963   -1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4366    2.2974   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2601    3.1662   -0.0022 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
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 16 17  1  0
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 29 32  1  0
  1 33  1  0
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  1 35  1  0
  2 36  1  0
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  9 50  1  0
 10 51  1  0
 11 52  1  0
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 30 75  1  0
 30 76  1  0
 30 77  1  0
 31 78  1  0
 31 79  1  0
 31 80  1  0
 32 81  1  0
 32 82  1  0
 32 83  1  0
M  CHG  2  27  -1  29   1
M  END
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3D SDF for HMDB0240746 ((11Z)-Eicoseneoylcarnitine)


  Mrv1652302242101132D          

 34 33  0  0  0  0            999 V2000
    8.3309    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    1.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9362    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5862    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    2.7474    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.7612    6.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    4.8099    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.6177    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28  2  1  0  0  0  0
 28  3  1  0  0  0  0
 28  4  1  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
 30 26  1  0  0  0  0
 31 27  2  0  0  0  0
 32 25  1  0  0  0  0
 32 27  1  0  0  0  0
 33 12  1  0  0  0  0
 34 13  1  0  0  0  0
M  CHG  2  28   1  30  -1
M  END
> <DATABASE_ID>
HMDB0240746

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,25H,5-11,14-24H2,1-4H3/b13-12-

> <INCHI_KEY>
PVOQPLSKYNZHOT-SEYXRHQNSA-N

> <FORMULA>
C27H51NO4

> <MOLECULAR_WEIGHT>
453.708

> <EXACT_MASS>
453.381809126

$$$$
Download

3D-SDF for HMDB0240746 ((11Z)-Eicoseneoylcarnitine)

HMDB0240746
     RDKit          3D
(11Z)-Eicoseneoylcarnitine
 83 82  0  0  0  0  0  0  0  0999 V2000
   10.0558    2.3823    1.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9636    0.9022    2.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2143    0.0976    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.3696   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7836    0.0232    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9413    0.3397   -0.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4956    0.2011   -0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968   -1.0795   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691   -1.7465    0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991   -2.0324    1.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949   -1.7793    1.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9563   -1.0905    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449   -0.9516    0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2204   -0.2211   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1490   -0.8622   -1.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7691   -2.2064   -1.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610   -2.2373   -1.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0264   -1.3448   -2.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4950   -1.3000   -2.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9441   -0.8652   -0.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5721   -1.4131    0.2327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8221    0.2039   -0.6748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2748    0.6488    0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7468    1.9859    1.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2733    2.3332    2.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3953    2.8420    2.5484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4962    2.0922    3.4740 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.7297    0.4788    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6301    1.0935   -0.1220 N   0  0  0  0  0  4  0  0  0  0  0  0
   -9.8927    1.3219    0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0547    0.1611   -1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2819    2.3346   -0.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7941    2.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1547    2.9514    2.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3236    2.5813    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7126    0.6133    2.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9596    0.7037    2.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2686    0.3298    0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2471   -0.9903    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5266   -0.2903   -1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3153    1.4056   -0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8635   -1.0907    0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5819    0.5963    1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4176   -0.1566   -1.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532    1.4480   -1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139    0.6923   -1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0452    0.9393   -0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3344   -1.8355   -1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7857   -1.1130   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -2.0989    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5458   -2.5646    2.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1485   -2.7737    1.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742   -1.1841    2.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730   -1.8007   -0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401   -0.1066    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979   -1.9716    1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -0.2945    1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3164    0.7689   -0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558    0.0602    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6301   -0.1650   -2.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.9409   -1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890   -2.9279   -0.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6411   -2.5699   -2.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5882   -3.2848   -1.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317   -1.9481   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6463   -0.2898   -2.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8209   -1.7009   -3.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083   -0.6017   -2.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9143   -2.3224   -2.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7930   -0.0660    1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6171    1.9076    1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9280    2.8131    0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9774    0.6970    1.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9324   -0.6414    0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2628    0.3919    1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7412    2.0535    1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6534    1.7441   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8049    0.6888   -1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5444   -0.6876   -0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2107   -0.2220   -1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1646    2.5963   -1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4366    2.2974   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2601    3.1662   -0.0022 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 23 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  2 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 12 55  1  0
 13 56  1  0
 13 57  1  0
 14 58  1  0
 14 59  1  0
 15 60  1  0
 15 61  1  0
 16 62  1  0
 16 63  1  0
 17 64  1  0
 17 65  1  0
 18 66  1  0
 18 67  1  0
 19 68  1  0
 19 69  1  0
 23 70  1  0
 24 71  1  0
 24 72  1  0
 28 73  1  0
 28 74  1  0
 30 75  1  0
 30 76  1  0
 30 77  1  0
 31 78  1  0
 31 79  1  0
 31 80  1  0
 32 81  1  0
 32 82  1  0
 32 83  1  0
M  CHG  2  27  -1  29   1
M  END
Download

PDB for HMDB0240746 ((11Z)-Eicoseneoylcarnitine)

HEADER    PROTEIN                                 24-FEB-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-21         0                                  
HETATM    1  C   UNK     0      15.551  18.218   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      27.554   3.588   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      26.014   5.128   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      29.094   5.128   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.551  16.678   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.217  15.908   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.217  14.368   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.884  13.598   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.884  12.058   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.550  11.288   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.550   9.748   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.216   8.978   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.216   7.438   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.884   7.438   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.217   6.668   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.551   7.438   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.885   6.668   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.218   7.438   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      19.552   6.668   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.886   7.438   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      22.219   6.668   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      26.220   8.978   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      27.554   6.668   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      26.220   7.438   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      27.554   9.748   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      23.553   7.438   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      27.554   5.128   0.000  0.00  0.00           N+1
HETATM   29  O   UNK     0      27.554  11.288   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      28.888   8.978   0.000  0.00  0.00           O-1
HETATM   31  O   UNK     0      23.553   8.978   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      24.887   6.668   0.000  0.00  0.00           O+0
HETATM   33  H   UNK     0       8.883   9.748   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0       8.883   6.668   0.000  0.00  0.00           H+0
CONECT    1    5                                                            
CONECT    2   28                                                            
CONECT    3   28                                                            
CONECT    4   28                                                            
CONECT    5    1    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   33                                                  
CONECT   13   12   14   34                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   27                                                       
CONECT   23   25   26                                                       
CONECT   24   25   28                                                       
CONECT   25   23   24   32                                                  
CONECT   26   23   29   30                                                  
CONECT   27   22   31   32                                                  
CONECT   28    2    3    4   24                                             
CONECT   29   26                                                            
CONECT   30   26                                                            
CONECT   31   27                                                            
CONECT   32   25   27                                                       
CONECT   33   12                                                            
CONECT   34   13                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   66    0
END
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3D PDB for HMDB0240746 ((11Z)-Eicoseneoylcarnitine)

COMPND    HMDB0240746
HETATM    1  C1  UNL     1      10.056   2.382   1.820  1.00  0.00           C  
HETATM    2  C2  UNL     1       9.964   0.902   2.131  1.00  0.00           C  
HETATM    3  C3  UNL     1      10.214   0.098   0.889  1.00  0.00           C  
HETATM    4  C4  UNL     1       9.238   0.370  -0.212  1.00  0.00           C  
HETATM    5  C5  UNL     1       7.784   0.023   0.212  1.00  0.00           C  
HETATM    6  C6  UNL     1       6.941   0.340  -0.960  1.00  0.00           C  
HETATM    7  C7  UNL     1       5.496   0.201  -0.934  1.00  0.00           C  
HETATM    8  C8  UNL     1       4.797  -1.079  -0.706  1.00  0.00           C  
HETATM    9  C9  UNL     1       4.969  -1.746   0.574  1.00  0.00           C  
HETATM   10  C10 UNL     1       4.099  -2.032   1.497  1.00  0.00           C  
HETATM   11  C11 UNL     1       2.695  -1.779   1.547  1.00  0.00           C  
HETATM   12  C12 UNL     1       1.956  -1.091   0.483  1.00  0.00           C  
HETATM   13  C13 UNL     1       0.445  -0.952   0.871  1.00  0.00           C  
HETATM   14  C14 UNL     1      -0.220  -0.221  -0.245  1.00  0.00           C  
HETATM   15  C15 UNL     1      -0.149  -0.862  -1.582  1.00  0.00           C  
HETATM   16  C16 UNL     1      -0.769  -2.206  -1.709  1.00  0.00           C  
HETATM   17  C17 UNL     1      -2.261  -2.237  -1.412  1.00  0.00           C  
HETATM   18  C18 UNL     1      -3.026  -1.345  -2.323  1.00  0.00           C  
HETATM   19  C19 UNL     1      -4.495  -1.300  -2.161  1.00  0.00           C  
HETATM   20  C20 UNL     1      -4.944  -0.865  -0.818  1.00  0.00           C  
HETATM   21  O1  UNL     1      -4.572  -1.413   0.233  1.00  0.00           O  
HETATM   22  O2  UNL     1      -5.822   0.204  -0.675  1.00  0.00           O  
HETATM   23  C21 UNL     1      -6.275   0.649   0.579  1.00  0.00           C  
HETATM   24  C22 UNL     1      -5.747   1.986   1.000  1.00  0.00           C  
HETATM   25  C23 UNL     1      -6.273   2.333   2.340  1.00  0.00           C  
HETATM   26  O3  UNL     1      -7.395   2.842   2.548  1.00  0.00           O  
HETATM   27  O4  UNL     1      -5.496   2.092   3.474  1.00  0.00           O1-
HETATM   28  C24 UNL     1      -7.730   0.479   0.770  1.00  0.00           C  
HETATM   29  N1  UNL     1      -8.630   1.093  -0.122  1.00  0.00           N1+
HETATM   30  C25 UNL     1      -9.893   1.322   0.609  1.00  0.00           C  
HETATM   31  C26 UNL     1      -9.055   0.161  -1.201  1.00  0.00           C  
HETATM   32  C27 UNL     1      -8.282   2.335  -0.719  1.00  0.00           C  
HETATM   33  H1  UNL     1      10.892   2.794   2.436  1.00  0.00           H  
HETATM   34  H2  UNL     1       9.155   2.951   2.103  1.00  0.00           H  
HETATM   35  H3  UNL     1      10.324   2.581   0.747  1.00  0.00           H  
HETATM   36  H4  UNL     1      10.713   0.613   2.918  1.00  0.00           H  
HETATM   37  H5  UNL     1       8.960   0.704   2.543  1.00  0.00           H  
HETATM   38  H6  UNL     1      11.269   0.330   0.567  1.00  0.00           H  
HETATM   39  H7  UNL     1      10.247  -0.990   1.134  1.00  0.00           H  
HETATM   40  H8  UNL     1       9.527  -0.290  -1.070  1.00  0.00           H  
HETATM   41  H9  UNL     1       9.315   1.406  -0.568  1.00  0.00           H  
HETATM   42  H10 UNL     1       7.863  -1.091   0.372  1.00  0.00           H  
HETATM   43  H11 UNL     1       7.582   0.596   1.109  1.00  0.00           H  
HETATM   44  H12 UNL     1       7.418  -0.157  -1.862  1.00  0.00           H  
HETATM   45  H13 UNL     1       7.153   1.448  -1.192  1.00  0.00           H  
HETATM   46  H14 UNL     1       5.114   0.692  -1.907  1.00  0.00           H  
HETATM   47  H15 UNL     1       5.045   0.939  -0.170  1.00  0.00           H  
HETATM   48  H16 UNL     1       5.334  -1.836  -1.453  1.00  0.00           H  
HETATM   49  H17 UNL     1       3.786  -1.113  -1.154  1.00  0.00           H  
HETATM   50  H18 UNL     1       6.008  -2.099   0.812  1.00  0.00           H  
HETATM   51  H19 UNL     1       4.546  -2.565   2.396  1.00  0.00           H  
HETATM   52  H20 UNL     1       2.149  -2.774   1.807  1.00  0.00           H  
HETATM   53  H21 UNL     1       2.474  -1.184   2.510  1.00  0.00           H  
HETATM   54  H22 UNL     1       1.873  -1.801  -0.386  1.00  0.00           H  
HETATM   55  H23 UNL     1       2.340  -0.107   0.277  1.00  0.00           H  
HETATM   56  H24 UNL     1       0.098  -1.972   1.045  1.00  0.00           H  
HETATM   57  H25 UNL     1       0.434  -0.295   1.763  1.00  0.00           H  
HETATM   58  H26 UNL     1       0.316   0.769  -0.333  1.00  0.00           H  
HETATM   59  H27 UNL     1      -1.256   0.060   0.039  1.00  0.00           H  
HETATM   60  H28 UNL     1      -0.630  -0.165  -2.316  1.00  0.00           H  
HETATM   61  H29 UNL     1       0.900  -0.941  -1.930  1.00  0.00           H  
HETATM   62  H30 UNL     1      -0.289  -2.928  -0.999  1.00  0.00           H  
HETATM   63  H31 UNL     1      -0.641  -2.570  -2.744  1.00  0.00           H  
HETATM   64  H32 UNL     1      -2.588  -3.285  -1.565  1.00  0.00           H  
HETATM   65  H33 UNL     1      -2.432  -1.948  -0.350  1.00  0.00           H  
HETATM   66  H34 UNL     1      -2.646  -0.290  -2.322  1.00  0.00           H  
HETATM   67  H35 UNL     1      -2.821  -1.701  -3.376  1.00  0.00           H  
HETATM   68  H36 UNL     1      -4.908  -0.602  -2.919  1.00  0.00           H  
HETATM   69  H37 UNL     1      -4.914  -2.322  -2.396  1.00  0.00           H  
HETATM   70  H38 UNL     1      -5.793  -0.066   1.331  1.00  0.00           H  
HETATM   71  H39 UNL     1      -4.617   1.908   1.120  1.00  0.00           H  
HETATM   72  H40 UNL     1      -5.928   2.813   0.301  1.00  0.00           H  
HETATM   73  H41 UNL     1      -7.977   0.697   1.841  1.00  0.00           H  
HETATM   74  H42 UNL     1      -7.932  -0.641   0.699  1.00  0.00           H  
HETATM   75  H43 UNL     1     -10.263   0.392   1.087  1.00  0.00           H  
HETATM   76  H44 UNL     1      -9.741   2.054   1.424  1.00  0.00           H  
HETATM   77  H45 UNL     1     -10.653   1.744  -0.081  1.00  0.00           H  
HETATM   78  H46 UNL     1      -9.805   0.689  -1.806  1.00  0.00           H  
HETATM   79  H47 UNL     1      -9.544  -0.688  -0.680  1.00  0.00           H  
HETATM   80  H48 UNL     1      -8.211  -0.222  -1.769  1.00  0.00           H  
HETATM   81  H49 UNL     1      -9.165   2.596  -1.393  1.00  0.00           H  
HETATM   82  H50 UNL     1      -7.437   2.297  -1.433  1.00  0.00           H  
HETATM   83  H51 UNL     1      -8.260   3.166  -0.002  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3   36   37
CONECT    3    4   38   39
CONECT    4    5   40   41
CONECT    5    6   42   43
CONECT    6    7   44   45
CONECT    7    8   46   47
CONECT    8    9   48   49
CONECT    9   10   10   50
CONECT   10   11   51
CONECT   11   12   52   53
CONECT   12   13   54   55
CONECT   13   14   56   57
CONECT   14   15   58   59
CONECT   15   16   60   61
CONECT   16   17   62   63
CONECT   17   18   64   65
CONECT   18   19   66   67
CONECT   19   20   68   69
CONECT   20   21   21   22
CONECT   22   23
CONECT   23   24   28   70
CONECT   24   25   71   72
CONECT   25   26   26   27
CONECT   28   29   73   74
CONECT   29   30   31   32
CONECT   30   75   76   77
CONECT   31   78   79   80
CONECT   32   81   82   83
END
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SMILES for HMDB0240746 ((11Z)-Eicoseneoylcarnitine)

[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
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INCHI for HMDB0240746 ((11Z)-Eicoseneoylcarnitine)

InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,25H,5-11,14-24H2,1-4H3/b13-12-
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(11Z)-IcoseneoylcarnitineChEBI
11-cis-EicoseneoylcarnitineChEBI
11-cis-IcoseneoylcarnitineChEBI
3-[(11Z)-Icos-11-enoyloxy]-4-(trimethylammonio)butanoateChEBI
3-[(11Z)-Icos-11-enoyloxy]-4-(trimethylammonio)butanoic acidGenerator
Chemical FormulaC27H51NO4
Average Molecular Weight453.708
Monoisotopic Molecular Weight453.381809126
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
InChI Identifier
InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,25H,5-11,14-24H2,1-4H3/b13-12-
InChI KeyPVOQPLSKYNZHOT-SEYXRHQNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentAcyl carnitines
Alternative Parents
Substituents
  • Acyl-carnitine
  • Dicarboxylic acid or derivatives
  • Tetraalkylammonium salt
  • Quaternary ammonium salt
  • Carboxylic acid ester
  • Carboxylic acid salt
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic salt
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological location
ProcessNot Available
Role
Biological roleIndustrial application
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
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+249.92430932474
DeepCCS[M-H]-246.66430932474
DeepCCS[M-2H]-280.91930932474
DeepCCS[M+Na]+257.42230932474
AllCCS[M+H]+230.032859911
AllCCS[M+H-H2O]+228.432859911
AllCCS[M+NH4]+231.532859911
AllCCS[M+Na]+231.932859911
AllCCS[M-H]-220.432859911
AllCCS[M+Na-2H]-223.032859911
AllCCS[M+HCOO]-226.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(11Z)-Eicoseneoylcarnitine[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C3432.6Standard polar33892256
(11Z)-Eicoseneoylcarnitine[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C2788.0Standard non polar33892256
(11Z)-Eicoseneoylcarnitine[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C3098.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (11Z)-Eicoseneoylcarnitine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (11Z)-Eicoseneoylcarnitine 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 - (11Z)-Eicoseneoylcarnitine 10V, Positive-QTOFsplash10-0udi-0000900000-6569afc5f4e84425359b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (11Z)-Eicoseneoylcarnitine 20V, Positive-QTOFsplash10-0f79-9000500000-6870ab74c9d2e34e4d4e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (11Z)-Eicoseneoylcarnitine 40V, Positive-QTOFsplash10-000i-9000000000-e9262cbaff8cb4ad0ba62021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDNot Available
KNApSAcK IDNot Available
Chemspider ID28639210
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound71464507
PDB IDNot Available
ChEBI ID73118
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. Sud M, Fahy E, Cotter D, Brown A, Dennis EA, Glass CK, Merrill AH Jr, Murphy RC, Raetz CR, Russell DW, Subramaniam S: LMSD: LIPID MAPS structure database. Nucleic Acids Res. 2007 Jan;35(Database issue):D527-32. doi: 10.1093/nar/gkl838. Epub 2006 Nov 10. [PubMed:17098933 ]
  2. FRITZ IB: Action of carnitine on long chain fatty acid oxidation by liver. Am J Physiol. 1959 Aug;197:297-304. doi: 10.1152/ajplegacy.1959.197.2.297. [PubMed:13825279 ]
  3. Reuter SE, Evans AM: Carnitine and acylcarnitines: pharmacokinetic, pharmacological and clinical aspects. Clin Pharmacokinet. 2012 Sep 1;51(9):553-72. doi: 10.1007/BF03261931. [PubMed:22804748 ]
  4. Bruce CR, Hoy AJ, Turner N, Watt MJ, Allen TL, Carpenter K, Cooney GJ, Febbraio MA, Kraegen EW: Overexpression of carnitine palmitoyltransferase-1 in skeletal muscle is sufficient to enhance fatty acid oxidation and improve high-fat diet-induced insulin resistance. Diabetes. 2009 Mar;58(3):550-8. doi: 10.2337/db08-1078. Epub 2008 Dec 10. [PubMed:19073774 ]
  5. Schooneman MG, Vaz FM, Houten SM, Soeters MR: Acylcarnitines: reflecting or inflicting insulin resistance? Diabetes. 2013 Jan;62(1):1-8. doi: 10.2337/db12-0466. [PubMed:23258903 ]
  6. Ahmad T, Kelly JP, McGarrah RW, Hellkamp AS, Fiuzat M, Testani JM, Wang TS, Verma A, Samsky MD, Donahue MP, Ilkayeva OR, Bowles DE, Patel CB, Milano CA, Rogers JG, Felker GM, O'Connor CM, Shah SH, Kraus WE: Prognostic Implications of Long-Chain Acylcarnitines in Heart Failure and Reversibility With Mechanical Circulatory Support. J Am Coll Cardiol. 2016 Jan 26;67(3):291-9. doi: 10.1016/j.jacc.2015.10.079. [PubMed:26796394 ]
  7. Dambrova M, Makrecka-Kuka M, Kuka J, Vilskersts R, Nordberg D, Attwood MM, Smesny S, Sen ZD, Guo AC, Oler E, Tian S, Zheng J, Wishart DS, Liepinsh E, Schioth HB: Acylcarnitines: Nomenclature, Biomarkers, Therapeutic Potential, Drug Targets, and Clinical Trials. Pharmacol Rev. 2022 Jul;74(3):506-551. doi: 10.1124/pharmrev.121.000408. [PubMed:35710135 ]