Acetyl-DL-carnitine
PubChem CID: 1
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| Compound Synonyms | Acetyl-DL-carnitine, acetylcarnitine, 14992-62-2, DL-Acetylcarnitine, DL-O-Acetylcarnitine, 3-acetyloxy-4-(trimethylazaniumyl)butanoate, Acetyl carnitine, UNII-07OP6H4V4A, 3-(acetyloxy)-4-(trimethylazaniumyl)butanoate, 07OP6H4V4A, 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt, ACETYLCARNITINE, DL-, ACETYLCARNITINE DL-FORM, Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, acetate, DL-, 870-77-9, DTXSID2048117, ACETYLCARNITINE, (+/-)-, ACETYLCARNITINE RACEMATE [MI], 3-(acetyloxy)-4-(trimethylammonio)butanoate, 1-Propanaminium, 2-(acetoxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM HYDROXIDE INNER SALT ACETATE, AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, HYDROXIDE, INNER SALT, ACETATE, CHEBI:73024, (+/-)-acetylcarnitine, bmse000142, SCHEMBL69781, O-ACETYL-DL-CARNITINE, D/L -ACETYL-CARNITINE, ACETYLCARNITINE RACEMATE, ACETYL CARNITINE [INCI], DTXCID5028089, Acetyl-L-carnitine-(N-methyl-d3), DAA04038, EIA25954, LMFA07070060, 3-Acetoxy-4-(trimethylammonio)butanoate, AS-82719, HY-126358, CS-0102945, NS00074255, G90449, Q27140241, 2-(ACETYLOXY)-3-CARBOXY-N,N,N-TRIMETHYL-1-PROPANAMINIUM INNER SALT, 1-Propanaminium, 2-(acetoxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)- (9CI), 1-Propanaminium, 2-(acetoxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-(9CI), 204259-54-1 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Pathway Kegg Map Id | map01040 |
| Description | An acetic acid ester of carnitine that facilitates movement of acetyl CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids. In addition to his metabolic role, acetyl-L-carnitine (ALC) posses unique neuroprotective, neuromodulatory, and neurotrophic properties this may play an important role in counteracting various disease processes. (PubMed ID 15363640) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P43155, O43772 |
| Iupac Name | 3-acetyloxy-4-(trimethylazaniumyl)butanoate |
| Prediction Hob | 0.0 |
| Xlogp | 0.4 |
| Molecular Formula | C9H17NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RDHQFKQIGNGIED-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -0.023 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -2.499 |
| Synonyms | (-)-Acetylcarnitine, (+-)-Acetylcarnitine, (R)-Acetylcarnitine, 3-(Acetyloxy)-4-(trimethylammonio)butanoate, 3-(Acetyloxy)-4-(trimethylammonio)butanoic acid, Acetyl-carnitine, Acetyl-DL-carnitine, Acetyl-L-(-)-carnitine, Acetyl-L-carnitine, Acetylcarnitine, ALCAR, DL-O-Acetylcarnitine, L-Acetylcarnitine, L-Carnitine acetyl ester, L-O-Acetylcarnitine, Levocarnitine acetyl, Nicetile, O-Acetyl-L-carnitine, O-Acetylcarnitine |
| Compound Name | Acetyl-DL-carnitine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 203.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 203.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 203.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4474755999999998 |
| Inchi | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 |
| Smiles | CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hedychium Yunnanense (Plant) Rel Props:Source_db:cmaup_ingredients