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1492-27-9 | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt
CAS No: 1492-27-9 Catalog No: AG001LH2 MDL No:
Product Description
Catalog Number:
AG001LH2
Chemical Name:
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt
CAS Number:
1492-27-9
Molecular Formula:
C17H33NO4
Molecular Weight:
315.4482
IUPAC Name:
3-decanoyloxy-4-(trimethylazaniumyl)butanoate
InChI:
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
InChI Key:
LZOSYCMHQXPBFU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.241g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.454g/mol
Monoisotopic Mass:
315.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics. | Scientific reports 20180101 |
| Disruption of redox homeostasis in cerebral cortex of developing rats by acylcarnitines accumulating in medium-chain acyl-CoA dehydrogenase deficiency. | International journal of developmental neuroscience : the official journal of the International Society for Developmental Neuroscience 20120801 |
| Cardiac involvement in inflammatory bowel disease: role of acylcarnitine esters. | La Clinica terapeutica 20110101 |
| Spectrum of medium-chain acyl-CoA dehydrogenase deficiency detected by newborn screening. | Pediatrics 20080501 |
| Mechanistic analysis for drug permeation through intestinal membrane. | Drug metabolism and pharmacokinetics 20070401 |
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