ContaminantDB: 5-Hydroxylysine

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-25 18:12:05 UTC

Update Date

2016-11-09 01:17:21 UTC

Accession Number

CHEM021770

Identification

Common Name

5-Hydroxylysine

Class

Small Molecule

Description

A 5-hydroxylysine consisting of L-lysine having an (R)-hydroxy group at the 5-position.

Contaminant Sources

FooDB Chemicals
HMDB Contaminants - Urine

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
(2S,5R)-5-Hydroxylysine	ChEBI
(5R)-5-Hydroxy-L-lysine	ChEBI
alpha,epsilon-Diamino-delta-hydroxycaproic acid	ChEBI
L-Erythro-5-hydroxylysine	ChEBI
L-Normal-5-hydroxylysine	ChEBI
5-Hydroxy-L-lysine	Kegg
a,epsilon-Diamino-delta-hydroxycaproate	Generator
a,epsilon-Diamino-delta-hydroxycaproic acid	Generator
alpha,epsilon-Diamino-delta-hydroxycaproate	Generator
Α,epsilon-diamino-δ-hydroxycaproate	Generator
Α,epsilon-diamino-δ-hydroxycaproic acid	Generator
Lysine, 5 hydroxy	MeSH
2,6-Diamino-5-hydroxyhexanoic acid	MeSH
5 Hydroxylysine	MeSH
Hydroxylysine	MeSH
(2S,5R)-2,6-Diamino-5-hydroxyhexanoic acid	MeSH
2,6 Diamino 5 hydroxyhexanoic acid	MeSH
a,epsilon-diamino-δ-hydroxycaproate	Generator, HMDB
a,epsilon-diamino-δ-hydroxycaproic acid	Generator, HMDB
(2S,5R)-2,6-diamino-5-Hydroxyhexanoate	HMDB
5-Hydroxy-lysine	HMDB
D-Hydroxy-L-lysine	HMDB
D-Hydroxylysine	HMDB
delta-DL-Hydroxylysine	HMDB
delta-Hydroxy-L-lysine	HMDB
delta-Hydroxylysine	HMDB
erythro-5-Hydroxy-L-lysine	HMDB
Hydroxy-lysine	HMDB
L-D-Hydroxylysine	HMDB
L-delta-Hydroxylysine	HMDB
Procollagen 5-hydroxy-L-lysine	HMDB
Procollagen L-erythro-5-hydroxy-L-lysine	HMDB
5-HYDROXYLYSINE	ChEBI

Chemical Formula

C₆H₁₄N₂O₃

Average Molecular Mass

162.187 g/mol

Monoisotopic Mass

162.100 g/mol

CAS Registry Number

1190-94-9

IUPAC Name

(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid

Traditional Name

L-hydroxylysine

SMILES

NC[C@H](O)CC[C@H](N)C(O)=O

InChI Identifier

InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1

InChI Key

YSMODUONRAFBET-UHNVWZDZSA-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
Medium-chain fatty acid
Amino fatty acid
Hydroxy fatty acid
Fatty acyl
Fatty acid
1,2-aminoalcohol
Amino acid
Secondary alcohol
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Amine
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

hydroxy-L-lysine (CHEBI:18040 )
5-hydroxylysine (CHEBI:18040 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	124 g/L	ALOGPS
logP	-3.8	ALOGPS
logP	-4.4	ChemAxon
logS	-0.12	ALOGPS
pKa (Strongest Acidic)	2.45	ChemAxon
pKa (Strongest Basic)	9.75	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	109.57 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	39.17 m³·mol⁻¹	ChemAxon
Polarizability	16.55 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9100000000-81a6012646b8f5a82841	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0ukc-9370000000-6e3c7f27f020c40d5dea	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_5) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_6) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_7) - 70eV, Positive	Not Available	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-004i-1900000000-af0587f21cf098832243	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-001i-9000000000-e76f81591af86b08b817	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-001i-9000000000-cc12ca7d17e7da426b8e	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 0V, Positive	splash10-0h90-6900000000-9903fbb14f6977187f75	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-053r-9100000000-3a6962f460ef5bc77518	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-0ik9-9500000000-217090a289a65e58ba97	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-0a4i-9000000000-c2cb8346c76f58e50f80	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-803ec6c309b6fffd5200	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-0a4i-9000000000-3053f0967575b100df20	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 0V, Positive	splash10-03di-0900000000-36fb39fbcb35551bbe65	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-053s-9500000000-7fae325e34c0dfb566eb	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-0a59-9100000000-503a9651a8f549c71405	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-053r-9100000000-8db6ec3c37b10c5e796e	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-0059-5900000000-aea2904585552915ac93	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-0059-6900000000-29dd6eec1c9493485133	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-b9f390457e0ef534f27a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-2900000000-35cede633d459f50ae78	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-6900000000-b73caf4bbd05704b8925	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9200000000-fb4fab4226b28fff337c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-87768bb99db94b42d449	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03ec-3900000000-a25ff2e4de71d6d51ba5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00fr-9300000000-7dbaec809eb754d6a850	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-893b775907823f691aab	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03dl-7900000000-c869b5c8a301bbdb44b9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-260e3fe910ecdc421389	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
1D NMR	1H NMR Spectrum	Not Available	Spectrum
1D NMR	13C NMR Spectrum	Not Available	Spectrum
2D NMR	[1H,13C] 2D NMR Spectrum	Not Available	Spectrum