| CAS Number | 36816-10-1 |
| Catalog Number | AG0077X4(AGN-PC-0RCS8O) |
| Chemical Name | 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-,inner salt, (2R)- |
| IUPAC Name | 3-[(9Z,12Z)-octadeca-9,12-dienoxy]-4-(trimethylazaniumyl)butanoate |
| InChI | InChI=1S/C25H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-24(22-25(27)28)23-26(2,3)4/h9-10,12-13,24H,5-8,11,14-23H2,1-4H3/b10-9-,13-12- |
| InChI Key | ZYHHFSFTXFFKIO-UTJQPWESSA-N |
| MDL Number | MFCD24386432 |
| Molecular Formula | C25H45NO4 |
| Molecular Weight | 423.6291 |
| SMILES | CCCCCC=C/CC=C/CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C |
| Synonyms | linoleoylcarnitine,
36816-10-1,
SCHEMBL17891468,
Linoleoyl carnitine,
1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-,inner salt, (2R)-,
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| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 409.355594g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.6g/mol |
| Monoisotopic Mass | 409.355594g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 49.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number