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Details

Stereochemistry RACEMIC
Molecular Formula C29H55NO4
Molecular Weight 481.7513
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ERUCYLCARNITINE, (±)-

SMILES

CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C

InChI

InChIKey=WDWXOVLPQSTGNY-SEYXRHQNSA-N
InChI=1S/C29H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h12-13,27H,5-11,14-26H2,1-4H3/b13-12-

HIDE SMILES / InChI

Molecular Formula C29H55NO4
Molecular Weight 481.7513
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
ZIB8N0V3O9
Record Status Validated (UNII)
Record Version