Metabolite L-iduronic acid

Name

L-iduronic acid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 194.139
Monoisotopic: 194.042652662

Chemical Formula

C₆H₁₀O₇

InChI Key

IAJILQKETJEXLJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)

IUPAC Name

2,3,4,5-tetrahydroxy-6-oxohexanoic acid

SMILES

OC(C=O)C(O)C(O)C(O)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ar0-4900000000-b5b7b5356979f4272f4f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05i0-9300000000-524cf84046c61b253344
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9100000000-81f752068177879fa3e7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-084l-9200000000-01ec631409d27d1908f1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9000000000-9ba9070388f431756c75
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-9000000000-ddecd5c9792716e601e1

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	129.89198	predicted	DeepCCS 1.0 (2019)
[M+H]+	133.71931	predicted	DeepCCS 1.0 (2019)
[M+Na]+	142.88084	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties