CAS 102636-82-8 | 1-Propanaminium, 3-carboxy-2-(4-carboxy-1-oxobutoxy)-N,N,N-trimethyl-, inner salt, (2R)- | CAS Number 102636-82-8

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102636-82-8 | 1-Propanaminium, 3-carboxy-2-(4-carboxy-1-oxobutoxy)-N,N,N-trimethyl-, inner salt, (2R)-

CAS No: 102636-82-8 Catalog No: AG0007ZU MDL No:

Product Description

Catalog Number:

AG0007ZU

Chemical Name:

1-Propanaminium, 3-carboxy-2-(4-carboxy-1-oxobutoxy)-N,N,N-trimethyl-, inner salt, (2R)-

CAS Number:

102636-82-8

Molecular Formula:

C12H21NO6

Molecular Weight:

275.2982

IUPAC Name:

(3R)-3-(4-carboxybutanoyloxy)-4-(trimethylazaniumyl)butanoate

InChI:

InChI=1S/C12H21NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h9H,4-8H2,1-3H3,(H-,14,15,16,17)/t9-/m1/s1

InChI Key:

NXJAXUYOQLTISD-SECBINFHSA-N

SMILES:

O=C(O[C@@H](C[N+](C)(C)C)CC(=O)O)CCCC(=O)[O-]

Properties

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.301g/mol

Monoisotopic Mass:

275.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
An improved LC-MS/MS method for the detection of classic and low excretor glutaric acidemia type 1.	Journal of inherited metabolic disease 20120501
Therapeutic modulation of cerebral L-lysine metabolism in a mouse model for glutaric aciduria type I.	Brain : a journal of neurology 20110101
Comparison of amino acids and acylcarnitines assay methods used in newborn screening assays by tandem mass spectrometry.	Clinica chimica acta; international journal of clinical chemistry 20100502
False-positive newborn screening mimicking glutaric aciduria type I in infants with renal insufficiency.	Journal of inherited metabolic disease 20091201
Enzymatic evaluation of glutaric acidemia type 1 by an in vitro probe assay of acylcarnitine profiling using fibroblasts and electrospray ionization/tandem mass spectrometry (MS/MS).	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20090901
Maternal glutaric acidemia, type I identified by newborn screening.	Molecular genetics and metabolism 20080501
Neonatal screening for glutaric aciduria type I: strategies to proceed.	Journal of inherited metabolic disease 20060101
Glutaryl-CoA dehydrogenase deficiency and newborn screening: retrospective analysis of a low excretor provides further evidence that some cases may be missed.	Molecular genetics and metabolism 20051101
The urinary excretion of glutarylcarnitine is an informative tool in the biochemical diagnosis of glutaric acidemia type I.	Molecular genetics and metabolism 20050201
Genetic and biochemical study in a patient with glutaric acidemia type I.	Journal of the Formosan Medical Association = Taiwan yi zhi 20040701
Pseudo-glutarylcarnitinaemia in medium-chain acyl-CoA dehydrogenase deficiency detected by tandem mass spectrometry newborn screening.	Journal of inherited metabolic disease 20040101
Stability of malonylcarnitine and glutarylcarnitine in stored blood spots.	Journal of inherited metabolic disease 20040101
Glutaryl-CoA dehydrogenase deficiency: region-specific analysis of organic acids and acylcarnitines in post mortem brain predicts vulnerability of the putamen.	Neuropediatrics 20030601