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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-03-23 06:02:56 UTC

Update Date

2022-03-07 03:17:59 UTC

HMDB ID

HMDB0062752

Secondary Accession Numbers

HMDB62752

Metabolite Identification

Common Name

Erythro-4-hydroxy-L-glutamate(1-)

Description

4-Hydroxy-L-glutamic acid, also known as 4-hydroxy-L-glutamate or erythro-L-bhga, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Specifically 4-Hydroxy-L-glutamic acid combines with 2-oxoglutarate to produce 4-hydroxy-2-oxoglutarate and glutamate. 4-Hydroxy-L-glutamic acid is an intermediate in the metabolism of gamma-hydroxyglutamic acid. 4-Hydroxy-L-glutamic acid is a very strong basic compound (based on its pKa). 4-Hydroxy-L-glutamic acid exists in all living organisms, ranging from bacteria to humans. Within humans, 4-hydroxy-L-glutamic acid participates in a number of enzymatic reactions. In particular, 4-hydroxy-L-glutamic acid can be biosynthesized from pyrroline hydroxycarboxylic acid through its interaction with the enzyme Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial. In addition, 4-hydroxy-L-glutamic acid can be converted into L-4-hydroxyglutamate semialdehyde through the action of the enzyme proline dehydrogenase 1, mitochondrial. In humans, 4-hydroxy-L-glutamic acid is involved in the metabolic disorder called hyperprolinemia type II. This reaction is catalyzed by 4-hydroxyglutamate aminotransferase (PMID 13948827 ). The reaction can be described as: 4-Hydroxy-L-glutamic acid + 2-Oxoglutarate <=> 4-Hydroxy-2-oxoglutarate + L-Glutamate.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-Hydroxy-L-glutamate	Generator
beta-Hydroxyglutamate	HMDB
beta-Hydroxyglutamic acid	HMDB
Erythro-L-bhga	HMDB
Hydroxyglutamic acid, (DL)-isomer	HMDB
Hydroxyglutamic acid, erythro-(DL)-isomer	HMDB
Hydroxyglutamic acid, erythro-(L)-isomer	HMDB
Hydroxyglutamic acid, sodium salt	HMDB
Threo-L-bhga	HMDB

Chemical Formula

C₅H₉NO₅

Average Molecular Weight

163.129

Monoisotopic Molecular Weight

163.048072394

IUPAC Name

2-amino-4-hydroxypentanedioic acid

Traditional Name

hydroxyglutamic acid

CAS Registry Number

Not Available

SMILES

NC(CC(O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)

InChI Key

HBDWQSHEVMSFGY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamic acid and derivatives

Alternative Parents

Substituents

Glutamic acid or derivatives
Alpha-amino acid
Amino fatty acid
Hydroxy fatty acid
Short-chain hydroxy acid
Alpha-hydroxy acid
Dicarboxylic acid or derivatives
Hydroxy acid
Fatty acid
Fatty acyl
1,3-aminoalcohol
Secondary alcohol
Amino acid
Carboxylic acid
Primary amine
Primary aliphatic amine
Organopnictogen compound
Alcohol
Organonitrogen compound
Carbonyl group
Organic oxygen compound
Amine
Organic oxide
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0062752)

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	132 g/l	ALOGPS
LogP	-2.62	ALOGPS

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-3.7	ALOGPS
logP	-4.2	ChemAxon
logS	-0.34	ALOGPS
pKa (Strongest Acidic)	1.68	ChemAxon
pKa (Strongest Basic)	9.16	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	120.85 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	32.74 m³·mol⁻¹	ChemAxon
Polarizability	14.24 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
DeepCCS	[M+H]+	127.848	30932474
DeepCCS	[M-H]-	124.176	30932474
DeepCCS	[M-2H]-	161.564	30932474
DeepCCS	[M+Na]+	136.651	30932474
AllCCS	[M+H]+	136.6	32859911
AllCCS	[M+H-H2O]+	132.7	32859911
AllCCS	[M+NH4]+	140.3	32859911
AllCCS	[M+Na]+	141.3	32859911
AllCCS	[M-H]-	126.9	32859911
AllCCS	[M+Na-2H]-	128.6	32859911
AllCCS	[M+HCOO]-	130.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Erythro-4-hydroxy-L-glutamate(1-)	NC(CC(O)C(O)=O)C(O)=O	2423.7	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-)	NC(CC(O)C(O)=O)C(O)=O	1301.8	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-)	NC(CC(O)C(O)=O)C(O)=O	1841.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Erythro-4-hydroxy-L-glutamate(1-),1TMS,isomer #1	C[Si](C)(C)OC(CC(N)C(=O)O)C(=O)O	1643.8	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),1TMS,isomer #2	C[Si](C)(C)OC(=O)C(O)CC(N)C(=O)O	1599.1	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),1TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC(O)C(=O)O	1610.5	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),1TMS,isomer #4	C[Si](C)(C)NC(CC(O)C(=O)O)C(=O)O	1676.7	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC(O[Si](C)(C)C)C(=O)O	1672.0	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(N)C(=O)O)O[Si](C)(C)C	1654.9	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #3	C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O)C(=O)O	1724.4	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CC(O)C(=O)O[Si](C)(C)C	1614.4	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #5	C[Si](C)(C)NC(CC(O)C(=O)O[Si](C)(C)C)C(=O)O	1700.4	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #6	C[Si](C)(C)NC(CC(O)C(=O)O)C(=O)O[Si](C)(C)C	1693.7	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TMS,isomer #7	C[Si](C)(C)N(C(CC(O)C(=O)O)C(=O)O)[Si](C)(C)C	1892.8	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1674.5	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #2	C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	1740.5	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #3	C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	1743.9	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #4	C[Si](C)(C)OC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	1923.4	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #5	C[Si](C)(C)NC(CC(O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1699.8	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #6	C[Si](C)(C)OC(=O)C(O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1890.5	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC(O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1886.2	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #1	C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1765.2	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #1	C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1800.2	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #1	C[Si](C)(C)NC(CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1849.7	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1906.9	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1881.8	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2017.3	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	1915.7	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	1872.4	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2029.8	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #4	C[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1881.8	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #4	C[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1848.9	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TMS,isomer #4	C[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1979.3	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	1958.0	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	1924.2	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	1854.0	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CC(N)C(=O)O)C(=O)O	1885.0	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(N)C(=O)O	1855.1	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(O)C(=O)O	1849.1	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC(O)C(=O)O)C(=O)O	1932.3	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(O[Si](C)(C)C(C)(C)C)C(=O)O	2106.8	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	2098.0	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	2172.1	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(O)C(=O)O[Si](C)(C)C(C)(C)C	2053.2	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC(O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2161.9	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC(O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2133.6	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(CC(O)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2287.8	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2294.5	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2371.5	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	2376.6	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2531.3	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC(O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2341.3	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2521.0	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC(O)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
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2554.4	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2548.6	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2381.5	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2758.0	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2586.7	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2428.7	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2760.5	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2597.3	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2436.5	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2728.9	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2609.1	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2406.7	Standard polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2965.1	Semi standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2811.5	Standard non polar	33892256
Erythro-4-hydroxy-L-glutamate(1-),5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2436.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 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 - Erythro-4-hydroxy-L-glutamate(1-) 10V, Positive-QTOF	splash10-00kb-0900000000-ce005fc2e4492c63491a	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 20V, Positive-QTOF	splash10-0g4i-7900000000-c99dab7460465a300d8c	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 40V, Positive-QTOF	splash10-006x-9100000000-9ca5dd20ed7c29d06525	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 10V, Negative-QTOF	splash10-03di-1900000000-626615b98a6b2fb5e19d	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 20V, Negative-QTOF	splash10-00di-9800000000-a6e6074af92fb098b762	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 40V, Negative-QTOF	splash10-00di-9100000000-68bf4be7fd2ead3fcb1e	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 10V, Positive-QTOF	splash10-0gi0-3900000000-72a434ff0c346ae54bf5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 20V, Positive-QTOF	splash10-0fk9-9600000000-16a8930ac7a8ed9a8656	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 40V, Positive-QTOF	splash10-00di-9100000000-4825e58f647c6709f63e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 10V, Negative-QTOF	splash10-0006-0900000000-f33be61e6a7e963f5725	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 20V, Negative-QTOF	splash10-0079-9200000000-d4c3022fe2d2d99ba90b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Erythro-4-hydroxy-L-glutamate(1-) 40V, Negative-QTOF	splash10-0006-9000000000-ce7c939afbade242bd22	2021-09-22	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

Biological Properties

Cellular Locations

Not Available

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

FDB022938

KNApSAcK ID

Not Available

Chemspider ID

816

KEGG Compound ID

C03079

BioCyc ID

L-ERYTHRO-4-HYDROXY-GLUTAMATE

BiGG ID

1447439

Wikipedia Link

Not Available

METLIN ID

6586

PubChem Compound

5460078

PDB ID

Not Available

ChEBI ID

16338

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

Not Available

Showing metabocard for Erythro-4-hydroxy-L-glutamate(1-) (HMDB0062752)

MOL for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

3D MOL for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

3D SDF for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

3D-SDF for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

PDB for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

3D PDB for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

SMILES for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

INCHI for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

Structure for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

3D Structure for HMDB0062752 (Erythro-4-hydroxy-L-glutamate(1-))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra