Endogenous Metabolite (EM) Information
| Endogenous Metabolite (EM) Information | ||||||
|---|---|---|---|---|---|---|
| EM ID |
EM00182
|
|||||
| EM Name |
Octadecenylcarnitine
|
|||||
| Synonyms |
11Z-Octadecenylcarnitine; (4S)-4-[(11Z)-octadec-11-enoyloxy]-4-(trimethylazaniumyl)butanoate
|
|||||
| Structure |
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=53481695"></iframe>
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C25H47NO4
|
|||||
| Canonical SMILES |
CCCCCCC=CCCCCCCCCCC(=O)OC(CCC(=O)[O-])[N+](C)(C)C
|
|||||
| InChI |
InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h10-11,23H,5-9,12-22H2,1-4H3/b11-10-/t23-/m0/s1
|
|||||
| InChIKey |
HITOYGLMAFIRNI-JCKUYFFHSA-N
|
|||||
| Pharmaceutical Properties | Molecular Weight | 425.6 | Topological Polar Surface Area | 66.4 | ||
| Heavy Atom Count | 30 | Rotatable Bond Count | 20 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 4 | |||
| PubChem CID | ||||||
| ChEBI ID |
CHEBI:89742
|
|||||
| DT(s) "handling" This EM | MRP5 | Transporter Info | Multidrug resistance-associated protein 5 | [1] | ||
| References | ||||||
| 1 | N-lactoyl-amino acids are ubiquitous metabolites that originate from CNDP2-mediated reverse proteolysis of lactate and amino acids. Proc Natl Acad Sci U S A. 2015 May 26;112(21):6601-6. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.