2,4,6-Trideoxy-6-{[(4E)-3-hydroxy-2,4-dimethyl-4-heptenoyl]amino}-2,4-dimethylhex-5-ulosonic acid

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Systematic / IUPAC Name: 3-Hydroxy-6-{[(E)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino}-2,4-dimethyl-5-oxohexanoic acid

ID: Reference7671

Other Names: 5-Hexulosonic acid, 2,4,6-trideoxy-6-{[(4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-hepten-1-yl]amino}-2,4-dimethyl- ;
3-Hydroxy-6-[(4E)-3-hydroxy-2,4-dimethylhept-4-enamido]-2,4-dimethyl-5-oxohexanoic acid

Formula: C17H29NO6

Spectral Data

2,4,6-Trideoxy-6-{[(4E)-3-hydroxy-2,4-dimethyl-4-heptenoyl]amino}-2,4-dimethylhex-5-ulosonic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/3/2018 7:03:47 AM
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Identificators

InChI InChI=1S/C17H29NO6/c1-6-7-9(2)14(20)11(4)16(22)18-8-13(19)10(3)15(21)12(5)17(23)24/h7,10-12,14-15,20-21H,6,8H2,1-5H3,(H,18,22)(H,23,24)/b9-7+
InChI Key JNKVBUQSDAHKDQ-VQHVLOKHSA-N
Canonical SMILES CCC=C(C)C(C(C)C(=O)NCC(=O)C(C)C(C(C)C(=O)O)O)O
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Other Names 5-Hexulosonic acid, 2,4,6-trideoxy-6-{[(4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-hepten-1-yl]amino}-2,4-dimethyl- ;
3-Hydroxy-6-[(4E)-3-hydroxy-2,4-dimethylhept-4-enamido]-2,4-dimethyl-5-oxohexanoic acid

In Other Databases

ChemSpider 22842432
PubChem 23899991