Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:58:50 UTC

Update Date

2022-03-07 02:56:13 UTC

HMDB ID

HMDB0039499

Secondary Accession Numbers

HMDB39499

Metabolite Identification

Common Name

1,4-Dideoxy-1,4-imino-D-ribitol

Description

1,4-Dideoxy-1,4-imino-D-ribitol, also known as 2-hydroxymethyl-pyrrolidine-3,4-diol or DRIB, belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. 1,4-Dideoxy-1,4-imino-D-ribitol has been detected, but not quantified in, fruits and wax apples (Eugenia javanica). This could make 1,4-dideoxy-1,4-imino-D-ribitol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1,4-Dideoxy-1,4-imino-D-ribitol.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(+)-1,4-Dideoxy-1,4-imino-D-ribitol	HMDB
2-(Hydroxymethyl)-(2R,3R,4S)-3,4-pyrrolidinediol	HMDB
2-(Hydroxymethyl)-(2R-(2a,3b,4b))-3,4-pyrrolidinediol	HMDB
2-(Hydroxymethyl)-[2R-(2a,3b,4b)]-3,4-pyrrolidinediol	HMDB
2-HYDROXYMETHYL-pyrrolidine-3,4-diol	HMDB
DRIB	HMDB
Iminoribitol	HMDB
IMR	HMDB

Chemical Formula

C₅H₁₁NO₃

Average Molecular Weight

133.1457

Monoisotopic Molecular Weight

133.073893223

IUPAC Name

2-(hydroxymethyl)pyrrolidine-3,4-diol

Traditional Name

2-(hydroxymethyl)pyrrolidine-3,4-diol

CAS Registry Number

105990-41-8

SMILES

OCC1NCC(O)C1O

InChI Identifier

InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2

InChI Key

OQEBIHBLFRADNM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrrolidines

Sub Class

Not Available

Direct Parent

Pyrrolidines

Alternative Parents

Substituents

Pyrrolidine
1,2-aminoalcohol
Secondary alcohol
Secondary aliphatic amine
Secondary amine
Azacycle
Organopnictogen compound
Organic oxygen compound
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Amine
Alcohol
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039499)
Cytoplasm (HMDB: HMDB0039499)

Cytoplasm (HMDB: HMDB0039499)
Extracellular (HMDB: HMDB0039499)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039499)

Source

Exogenous

Food

Food (HMDB: HMDB0039499)

Fruit

Fruits (FooDB: FOOD00871)

Tropical fruit

Wax apple (FooDB: FOOD00078)

Endogenous

Plant

Plant (HMDB: HMDB0039499)

Process

Not Available

Role

Industrial application

Drug (HMDB: HMDB0039499)

Biological role

Nutrient

Nutrient (HMDB: HMDB0039499)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	659 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-2.3	ChemAxon
logS	0.69	ALOGPS
pKa (Strongest Acidic)	13.32	ChemAxon
pKa (Strongest Basic)	9.36	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	72.72 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	30.61 m³·mol⁻¹	ChemAxon
Polarizability	13.03 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	128.238	31661259
DarkChem	[M-H]-	121.665	31661259
DeepCCS	[M+H]+	130.826	30932474
DeepCCS	[M-H]-	128.747	30932474
DeepCCS	[M-2H]-	164.774	30932474
DeepCCS	[M+Na]+	139.499	30932474
AllCCS	[M+H]+	130.5	32859911
AllCCS	[M+H-H2O]+	125.9	32859911
AllCCS	[M+NH4]+	134.8	32859911
AllCCS	[M+Na]+	136.1	32859911
AllCCS	[M-H]-	123.7	32859911
AllCCS	[M+Na-2H]-	125.8	32859911
AllCCS	[M+HCOO]-	128.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1,4-Dideoxy-1,4-imino-D-ribitol	OCC1NCC(O)C1O	3049.2	Standard polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol	OCC1NCC(O)C1O	1315.3	Standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol	OCC1NCC(O)C1O	1679.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
1,4-Dideoxy-1,4-imino-D-ribitol,1TMS,isomer #1	C[Si](C)(C)OCC1NCC(O)C1O	1496.9	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,1TMS,isomer #2	C[Si](C)(C)OC1CNC(CO)C1O	1496.8	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,1TMS,isomer #3	C[Si](C)(C)OC1C(O)CNC1CO	1493.7	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,1TMS,isomer #4	C[Si](C)(C)N1CC(O)C(O)C1CO	1458.1	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TMS,isomer #1	C[Si](C)(C)OCC1NCC(O[Si](C)(C)C)C1O	1527.9	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TMS,isomer #2	C[Si](C)(C)OCC1NCC(O)C1O[Si](C)(C)C	1523.7	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TMS,isomer #3	C[Si](C)(C)OCC1C(O)C(O)CN1[Si](C)(C)C	1526.1	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TMS,isomer #4	C[Si](C)(C)OC1CNC(CO)C1O[Si](C)(C)C	1529.3	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TMS,isomer #5	C[Si](C)(C)OC1CN([Si](C)(C)C)C(CO)C1O	1513.2	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TMS,isomer #6	C[Si](C)(C)OC1C(O)CN([Si](C)(C)C)C1CO	1519.8	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,3TMS,isomer #1	C[Si](C)(C)OCC1NCC(O[Si](C)(C)C)C1O[Si](C)(C)C	1561.1	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,3TMS,isomer #2	C[Si](C)(C)OCC1C(O)C(O[Si](C)(C)C)CN1[Si](C)(C)C	1586.1	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,3TMS,isomer #3	C[Si](C)(C)OCC1C(O[Si](C)(C)C)C(O)CN1[Si](C)(C)C	1588.2	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,3TMS,isomer #4	C[Si](C)(C)OC1CN([Si](C)(C)C)C(CO)C1O[Si](C)(C)C	1559.5	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,4TMS,isomer #1	C[Si](C)(C)OCC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)CN1[Si](C)(C)C	1650.7	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,4TMS,isomer #1	C[Si](C)(C)OCC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)CN1[Si](C)(C)C	1697.9	Standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1NCC(O)C1O	1719.5	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CNC(CO)C1O	1718.2	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)CNC1CO	1724.6	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CC(O)C(O)C1CO	1690.8	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1NCC(O[Si](C)(C)C(C)(C)C)C1O	1953.5	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1NCC(O)C1O[Si](C)(C)C(C)(C)C	1948.3	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1C(O)C(O)CN1[Si](C)(C)C(C)(C)C	2002.5	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CNC(CO)C1O[Si](C)(C)C(C)(C)C	1971.8	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1CN([Si](C)(C)C(C)(C)C)C(CO)C1O	1976.2	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)CN([Si](C)(C)C(C)(C)C)C1CO	1981.5	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1NCC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2202.4	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1C(O)C(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	2255.6	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1C(O[Si](C)(C)C(C)(C)C)C(O)CN1[Si](C)(C)C(C)(C)C	2261.7	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CN([Si](C)(C)C(C)(C)C)C(CO)C1O[Si](C)(C)C(C)(C)C	2245.9	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	2523.9	Semi standard non polar	33892256
1,4-Dideoxy-1,4-imino-D-ribitol,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	2505.6	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-9300000000-f23c9a4f171e1152f8cd	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol GC-MS (3 TMS) - 70eV, Positive	splash10-0032-4291000000-b3faddd4d0656d194754	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 10V, Positive-QTOF	splash10-00lr-1900000000-a3fd3276e89e0741b78b	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 20V, Positive-QTOF	splash10-00kb-9700000000-262f43f2a39279208ba9	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 40V, Positive-QTOF	splash10-0002-9000000000-f592217fddd172b3bceb	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 10V, Negative-QTOF	splash10-001i-1900000000-79101bb450a92b55c707	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 20V, Negative-QTOF	splash10-0w30-5900000000-131d7c9c8faad0c36439	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 40V, Negative-QTOF	splash10-0006-9000000000-a8f9f66c63509a9cc353	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 10V, Negative-QTOF	splash10-0ue9-0900000000-d7ddef4d09137dda450c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 20V, Negative-QTOF	splash10-0zgi-9500000000-571e3b76b70f4e7e07fd	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 40V, Negative-QTOF	splash10-0a4l-9000000000-cd83a3c53da085536ec7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 10V, Positive-QTOF	splash10-015a-5900000000-e3cf2bca6b9da0221bb9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 20V, Positive-QTOF	splash10-0002-9200000000-5d29c2463648aff0184a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,4-Dideoxy-1,4-imino-D-ribitol 40V, Positive-QTOF	splash10-0007-9000000000-f4c4773da7b9c344047c	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB019106

KNApSAcK ID

C00036384

Chemspider ID

1295

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1335

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for 1,4-Dideoxy-1,4-imino-D-ribitol (HMDB0039499)

MOL for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

3D MOL for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

3D SDF for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

3D-SDF for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

PDB for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

3D PDB for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

SMILES for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

INCHI for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

Structure for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

3D Structure for HMDB0039499 (1,4-Dideoxy-1,4-imino-D-ribitol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra