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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:49:14 UTC

Update Date

2023-02-21 17:21:55 UTC

HMDB ID

HMDB0032332

Secondary Accession Numbers

HMDB32332

Metabolite Identification

Common Name

Hydroxylated lecithin

Description

Hydroxylated lecithin, also known as b-L-aspartylhydroxamate or b-aspartohydroxamic acid, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Based on a literature review a small amount of articles have been published on Hydroxylated lecithin.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
beta-Aspartohydroxamic acid	ChEBI
beta-L-Aspartylhydroxamate	ChEBI
L-Asparaginsaeure-4-hydroxyamid	ChEBI
L-Aspartic acid beta-hydroxamate	ChEBI
b-Aspartohydroxamate	Generator
b-Aspartohydroxamic acid	Generator
beta-Aspartohydroxamate	Generator
Β-aspartohydroxamate	Generator
Β-aspartohydroxamic acid	Generator
b-L-Aspartylhydroxamate	Generator
b-L-Aspartylhydroxamic acid	Generator
beta-L-Aspartylhydroxamic acid	Generator
Β-L-aspartylhydroxamate	Generator
Β-L-aspartylhydroxamic acid	Generator
L-Aspartate b-hydroxamate	Generator
L-Aspartate beta-hydroxamate	Generator
L-Aspartate β-hydroxamate	Generator
L-Aspartic acid b-hydroxamic acid	Generator
L-Aspartic acid beta-hydroxamic acid	Generator
L-Aspartic acid β-hydroxamic acid	Generator
2-Amino-4-(hydroxyamino)-4-oxobutanoic acid	HMDB
Aspartate-beta-hydroxamate	HMDB
Aspartic acid beta-hydroxamate	HMDB
beta-Aspartylhydroxamate	HMDB
beta-Aspartylhydroxamic acid	HMDB
D-Aspartic acid beta-hydroxamate	HMDB
DL-Aspartic acid beta-hydroxamate monohydrate	HMDB
L-Aspartylhydroxamate	HMDB
N-Hydroxy-DL-asparagine	HMDB
beta-Aspartylhydroxamic acid, (D)-isomer	MeSH
beta-Aspartylhydroxamic acid, (L)-isomer	MeSH

Chemical Formula

C₄H₈N₂O₄

Average Molecular Weight

148.1173

Monoisotopic Molecular Weight

148.048406754

IUPAC Name

(2S)-2-amino-3-(hydroxycarbamoyl)propanoic acid

Traditional Name

L-aspartic acid β-hydroxamate

CAS Registry Number

8029-76-3

SMILES

N[C@@H](CC(=O)NO)C(O)=O

InChI Identifier

InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

InChI Key

ZBYVTTSIVDYQSO-REOHCLBHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Fatty acid
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Primary aliphatic amine
Organic nitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

non-proteinogenic L-alpha-amino acid (CHEBI:52794 )
hydroxamic acid (CHEBI:52794 )
L-asparagine derivative (CHEBI:52794 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0032332)
Cytoplasm (HMDB: HMDB0032332)

Source

Endogenous

Endogenous (HMDB: HMDB0032332)

Exogenous

Food

Food (HMDB: HMDB0032332)

Process

Not Available

Role

Not Available

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	68 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-4.3	ChemAxon
logS	-0.34	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	8.05	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	112.65 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	30.12 m³·mol⁻¹	ChemAxon
Polarizability	12.58 Å³	ChemAxon
Number of Rings	0	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]+	132.389	31661259
DarkChem	[M-H]-	127.937	31661259
DeepCCS	[M+H]+	125.409	30932474
DeepCCS	[M-H]-	121.543	30932474
DeepCCS	[M-2H]-	158.963	30932474
DeepCCS	[M+Na]+	134.398	30932474
AllCCS	[M+H]+	133.5	32859911
AllCCS	[M+H-H2O]+	129.5	32859911
AllCCS	[M+NH4]+	137.2	32859911
AllCCS	[M+Na]+	138.3	32859911
AllCCS	[M-H]-	124.3	32859911
AllCCS	[M+Na-2H]-	126.4	32859911
AllCCS	[M+HCOO]-	128.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Hydroxylated lecithin	N[C@@H](CC(=O)NO)C(O)=O	2426.8	Standard polar	33892256
Hydroxylated lecithin	N[C@@H](CC(=O)NO)C(O)=O	1452.5	Standard non polar	33892256
Hydroxylated lecithin	N[C@@H](CC(=O)NO)C(O)=O	2099.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Hydroxylated lecithin,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC(=O)NO	1579.2	Semi standard non polar	33892256
Hydroxylated lecithin,1TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(=O)NO)C(=O)O	1637.5	Semi standard non polar	33892256
Hydroxylated lecithin,1TMS,isomer #3	C[Si](C)(C)N(O)C(=O)C[C@H](N)C(=O)O	1666.5	Semi standard non polar	33892256
Hydroxylated lecithin,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CC(=O)NO)C(=O)O[Si](C)(C)C	1696.5	Semi standard non polar	33892256
Hydroxylated lecithin,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CC(=O)NO)C(=O)O[Si](C)(C)C	1720.4	Standard non polar	33892256
Hydroxylated lecithin,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CC(=O)N(O)[Si](C)(C)C	1672.0	Semi standard non polar	33892256
Hydroxylated lecithin,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CC(=O)N(O)[Si](C)(C)C	1695.7	Standard non polar	33892256
Hydroxylated lecithin,2TMS,isomer #3	C[Si](C)(C)N([C@@H](CC(=O)NO)C(=O)O)[Si](C)(C)C	1788.6	Semi standard non polar	33892256
Hydroxylated lecithin,2TMS,isomer #3	C[Si](C)(C)N([C@@H](CC(=O)NO)C(=O)O)[Si](C)(C)C	1781.2	Standard non polar	33892256
Hydroxylated lecithin,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CC(=O)N(O)[Si](C)(C)C)C(=O)O	1744.8	Semi standard non polar	33892256
Hydroxylated lecithin,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CC(=O)N(O)[Si](C)(C)C)C(=O)O	1697.7	Standard non polar	33892256
Hydroxylated lecithin,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)NO)N([Si](C)(C)C)[Si](C)(C)C	1831.5	Semi standard non polar	33892256
Hydroxylated lecithin,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)NO)N([Si](C)(C)C)[Si](C)(C)C	1792.5	Standard non polar	33892256
Hydroxylated lecithin,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(=O)N(O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1754.9	Semi standard non polar	33892256
Hydroxylated lecithin,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(=O)N(O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1722.3	Standard non polar	33892256
Hydroxylated lecithin,3TMS,isomer #3	C[Si](C)(C)N(O)C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1865.9	Semi standard non polar	33892256
Hydroxylated lecithin,3TMS,isomer #3	C[Si](C)(C)N(O)C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1806.7	Standard non polar	33892256
Hydroxylated lecithin,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N(O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1887.0	Semi standard non polar	33892256
Hydroxylated lecithin,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N(O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1843.3	Standard non polar	33892256
Hydroxylated lecithin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC(=O)NO	1845.3	Semi standard non polar	33892256
Hydroxylated lecithin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)NO)C(=O)O	1895.7	Semi standard non polar	33892256
Hydroxylated lecithin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(O)C(=O)C[C@H](N)C(=O)O	1883.4	Semi standard non polar	33892256
Hydroxylated lecithin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)NO)C(=O)O[Si](C)(C)C(C)(C)C	2172.2	Semi standard non polar	33892256
Hydroxylated lecithin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)NO)C(=O)O[Si](C)(C)C(C)(C)C	2106.1	Standard non polar	33892256
Hydroxylated lecithin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC(=O)N(O)[Si](C)(C)C(C)(C)C	2080.9	Semi standard non polar	33892256
Hydroxylated lecithin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC(=O)N(O)[Si](C)(C)C(C)(C)C	2124.0	Standard non polar	33892256
Hydroxylated lecithin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N([C@@H](CC(=O)NO)C(=O)O)[Si](C)(C)C(C)(C)C	2254.2	Semi standard non polar	33892256
Hydroxylated lecithin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N([C@@H](CC(=O)NO)C(=O)O)[Si](C)(C)C(C)(C)C	2170.1	Standard non polar	33892256
Hydroxylated lecithin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)O	2174.3	Semi standard non polar	33892256
Hydroxylated lecithin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)O	2106.8	Standard non polar	33892256
Hydroxylated lecithin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)NO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2533.5	Semi standard non polar	33892256
Hydroxylated lecithin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)NO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2399.8	Standard non polar	33892256
Hydroxylated lecithin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2373.7	Semi standard non polar	33892256
Hydroxylated lecithin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N(O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2339.6	Standard non polar	33892256
Hydroxylated lecithin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(O)C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2498.9	Semi standard non polar	33892256
Hydroxylated lecithin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(O)C(=O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2405.9	Standard non polar	33892256
Hydroxylated lecithin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N(O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2726.3	Semi standard non polar	33892256
Hydroxylated lecithin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N(O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2613.3	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxylated lecithin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9200000000-c2dd8c82b8b9b0300f7b	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxylated lecithin GC-MS (1 TMS) - 70eV, Positive	splash10-0udi-6900000000-4dbb0a52851eb3b5b0da	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxylated lecithin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxylated lecithin 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 - Hydroxylated lecithin 10V, Positive-QTOF	splash10-0uea-2900000000-772fdfe0f8422a644e18	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 20V, Positive-QTOF	splash10-0fki-9400000000-3a81aa62fa98f17d169e	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 40V, Positive-QTOF	splash10-0006-9000000000-14e6157ef2e016194cae	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 10V, Negative-QTOF	splash10-0002-3900000000-6b1bd714783ba163f1ce	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 20V, Negative-QTOF	splash10-0ab9-9300000000-e9a84f870a19991c9831	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 40V, Negative-QTOF	splash10-0abc-9000000000-d30ec0fe1c08683b75dd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 10V, Negative-QTOF	splash10-004j-2900000000-27e75427da3b97fba34a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 20V, Negative-QTOF	splash10-00di-9300000000-9058e7769e8801b7e359	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 40V, Negative-QTOF	splash10-0006-9000000000-ca86a48626137a260d05	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 10V, Positive-QTOF	splash10-0g4i-6900000000-aed753e94d8f8f144645	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 20V, Positive-QTOF	splash10-00di-9100000000-ce2bf589a8bb9a6bfb81	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxylated lecithin 40V, Positive-QTOF	splash10-0006-9000000000-c7cab6e71d062a7ab811	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX 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

FDB009602

KNApSAcK ID

Not Available

Chemspider ID

88149

KEGG Compound ID

C03124

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Hydroxylated lecithin

METLIN ID

Not Available

PubChem Compound

44237312

PDB ID

Not Available

ChEBI ID

52794

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

(). EAFUS: Everything Added to Food in the United States.. .

Showing metabocard for Hydroxylated lecithin (HMDB0032332)

MOL for HMDB0032332 (Hydroxylated lecithin)

3D MOL for HMDB0032332 (Hydroxylated lecithin)

3D SDF for HMDB0032332 (Hydroxylated lecithin)

3D-SDF for HMDB0032332 (Hydroxylated lecithin)

PDB for HMDB0032332 (Hydroxylated lecithin)

3D PDB for HMDB0032332 (Hydroxylated lecithin)

SMILES for HMDB0032332 (Hydroxylated lecithin)

INCHI for HMDB0032332 (Hydroxylated lecithin)

Structure for HMDB0032332 (Hydroxylated lecithin)

3D Structure for HMDB0032332 (Hydroxylated lecithin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra