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

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.

View Mass Spectra

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