Toggle navigation
PAMDB
Browse
Metabolite Browse
Protein Browse
Reaction Browse
Pathway Browse
Search
Search molecular formula and weight
Mass spectrum search
MS/MS spectrum search
Molecular structure search
Protein sequence blast
Downloads
Metabolites
Proteins
Structures
About
About PAMDB
Acknowledgments
compounds
proteins
pathways
reactions
🔍
Homocysteine (PAMDB006170)
Identification
Taxonomy
Physical Properties
Biological Properties
Spectra
Concentrations
Links
References
Enzymes
Transporters
Proteins (3280)
Record Information
Version
1.0
Update Date
1/22/2018 12:54:54 PM
Metabolite ID
PAMDB006170
Identification
Name:
Homocysteine
Description:
Not Available
Structure
Synonyms:
Not Available
Chemical Formula:
C
4
H
9
NO
2
S
Average Molecular Weight:
135.185
Monoisotopic Molecular Weight:
135.035399227
InChI Key:
FFFHZYDWPBMWHY-UHFFFAOYSA-N
InChI:
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
CAS number:
Not Available
IUPAC Name:
Not Available
Traditional IUPAC Name:
Not Available
SMILES:
NC(CCS)C(O)=O
Chemical Taxonomy
Taxonomy Description
Not Available
Kingdom
Not Available
Super Class
Not Available
Class
Not Available
Sub Class
Not Available
Direct Parent
Not Available
Alternative Parents
Not Available
Substituents
Not Available
Molecular Framework
Not Available
External Descriptors
Not Available
Physical Properties
State:
Not Available
Charge:
Not Available
Melting point:
Not Available
Experimental Properties:
Property
Value
Source
Predicted Properties
Biological Properties
Cellular Locations:
Cytoplasm
Reactions:
5-Methyltetrahydrofolic acid + Homocysteine + 5-Methyltetrahydrofolic acid + Homocysteine > Tetrahydrofolic acid + L-Methionine + Tetrahydrofolic acid
Homocysteine + N5-methyl--tetrahydropteroyl tri-L-glutamate + Homocysteine > L-Methionine + tetrahydropteroyltri-L-glutamate
L-Cystathionine > Hydrogen ion + Homocysteine + 2-aminoprop-2-enoate + Homocysteine
Homocysteine + N5-methyl--tetrahydropteroyl tri-L-glutamate + Homocysteine > tetrahydropteroyltri-L-glutamate + L-Methionine
S-ribosyl-L-homocysteine + S-ribosyl-L-homocysteine > Homocysteine + autoinducer 2 + Homocysteine + autoinducer 2
Homocysteine + S-Methylmethionine <>2 L-Methionine + Hydrogen ion
S-ribosyl-L-homocysteine > 4,5-Dihydroxy-2,3-pentanedione + Homocysteine
> Homocysteine + autoinducer 2
SMPDB Pathways:
One Carbon Pool by Folate I
PW001735
Quorum Sensing
PW000836
S-adenosyl-L-methionine cycle
PW002080
methionine biosynthesis
PW000814
Biological Properties
Cellular Locations:
Cytoplasm
Reactions:
5-Methyltetrahydrofolic acid + Homocysteine + 5-Methyltetrahydrofolic acid + Homocysteine > Tetrahydrofolic acid + L-Methionine + Tetrahydrofolic acid
Homocysteine + N5-methyl--tetrahydropteroyl tri-L-glutamate + Homocysteine > L-Methionine + tetrahydropteroyltri-L-glutamate
L-Cystathionine > Hydrogen ion + Homocysteine + 2-aminoprop-2-enoate + Homocysteine
Homocysteine + N5-methyl--tetrahydropteroyl tri-L-glutamate + Homocysteine > tetrahydropteroyltri-L-glutamate + L-Methionine
S-ribosyl-L-homocysteine + S-ribosyl-L-homocysteine > Homocysteine + autoinducer 2 + Homocysteine + autoinducer 2
Pathways:
Not Available
Spectra
Spectra:
Spectrum Type
Description
Splash Key
GC-MS
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)
splash10-0059-0930000000-b4e6d47b81f1810f1f31
View in MoNA
GC-MS
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)
splash10-004i-0910000000-7b3c5664e3b6b1930674
View in MoNA
GC-MS
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)
splash10-004i-0910000000-0dbe4ce28b468fb874f0
View in MoNA
GC-MS
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)
splash10-00di-9730000000-952f5d413ee77e474820
View in MoNA
GC-MS
GC-MS Spectrum - GC-MS (2 TMS)
splash10-03yi-3900000000-b5bcb65d1cfa2f5b4a83
View in MoNA
GC-MS
GC-MS Spectrum - GC-MS (3 TMS)
splash10-0059-1950000000-09d1f6d02198624082ea
View in MoNA
GC-MS
GC-MS Spectrum - GC-MS
Not Available
LC-MS/MS
LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)
splash10-0006-9300000000-a8fd35730e901755194e
View in MoNA
LC-MS/MS
LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)
splash10-0a4l-9000000000-0e79cc37f5cb8f05cd37
View in MoNA
LC-MS/MS
LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)
splash10-052b-9000000000-694b412a6bed9a77958e
View in MoNA
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 10V, Positive
Not Available
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 20V, Positive
Not Available
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 40V, Positive
Not Available
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 10V, Negative
Not Available
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 20V, Negative
Not Available
Predicted LC-MS/MS
Predicted LC-MS/MS Spectrum - 40V, Negative
Not Available
1D NMR
1H NMR Spectrum
Not Available
1D NMR
1H NMR Spectrum
Not Available
1D NMR
1H NMR Spectrum
Not Available
1D NMR
13C NMR Spectrum
Not Available
2D NMR
[1H,13C] 2D NMR Spectrum
Not Available
References
References:
Not Available
Synthesis Reference:
Not Available
Material Safety Data Sheet (MSDS)
Not Available
Links
External Links:
Resource
Link
