Metabolite N-acetyl-D-galactosamine

Name

N-acetyl-D-galactosamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

833755V695

CAS number

Not Available

Weight

Average: 207.182
Monoisotopic: 207.074287143

Chemical Formula

C₇H₁₃NO₆

InChI Key

ASWSQTDDUKLWMA-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO6/c1-2(9)8-3-4(10)5(11)7(13)14-6(3)12/h3-7,10-13H,1H3,(H,8,9)

IUPAC Name

N-(2,4,5,6-tetrahydroxyoxan-3-yl)acetamide

SMILES

CC(=O)NC1C(O)OC(O)C(O)C1O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0390000000-5a5bd0897bf5a2963b8d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-4930000000-94760abf75522bd5cb81
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-1910000000-6a62a271bc2e9a358d6e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0avl-8910000000-6775c6158e86fcc31492
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fdo-9400000000-676aafacb9a0cc7199cf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052f-9300000000-4208f6deb1ae63458a67

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	140.42128	predicted	DeepCCS 1.0 (2019)
[M+H]+	142.79494	predicted	DeepCCS 1.0 (2019)
[M+Na]+	150.59752	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties