MiMeDB: Showing metabocard for L-Cystine (MMDBc0000499)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:39:09 UTC

Update Date

2022-08-31 06:07:33 UTC

Metabolite ID

MMDBc0000499

Metabolite Identification

Common Name

L-Cystine

Description

Cystine is an oxidized dimeric form of cysteine. It is formed by linking two cysteine residues via a disulfide bond (Cys-S-S-Cys) between the -SH groups. Cystine is found in high concentrations in digestive enzymes and in the cells of the immune system, skeletal and connective tissues, skin, and hair. Hair and skin are 10-14% cystine. Cystine is the preferred form of cysteine for the synthesis of glutathione in cells involved in the immune system (e.g. macrophages and astrocytes). Lymphocytes and neurons prefer cysteine for glutathione production. Optimizing glutathione levels in macrophages and astrocytes with cystine allows these cells to provide cysteine to lymphocytes and neurons directly upon demand (Wikipedia ).

Structure

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


  Mrv1652303202019002D          

 14 13  0  0  0  0            999 V2000
    2.5076    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.2350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5076    1.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3642   -0.2350    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0787    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2221   -0.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    0.1775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4937   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    1.0025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503    0.1775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2082    0.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  1  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  1  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 14  8  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000499

> <DATABASE_NAME>
MIME

> <SMILES>
N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1

> <INCHI_KEY>
LEVWYRKDKASIDU-IMJSIDKUSA-N

> <FORMULA>
C6H12N2O4S2

> <MOLECULAR_WEIGHT>
240.3

> <EXACT_MASS>
240.023848262

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
22.772305661239265

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid

> <ALOGPS_LOGP>
-3.16

> <JCHEM_LOGP>
-5.897687960059564

> <ALOGPS_LOGS>
-1.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.267408279723485

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5564231091903382

> <JCHEM_PKA_STRONGEST_BASIC>
9.342140596747571

> <JCHEM_POLAR_SURFACE_AREA>
126.64000000000001

> <JCHEM_REFRACTIVITY>
54.87179999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-cystine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-20         0                                  
HETATM    1  C   UNK     0       4.681   0.331   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.347  -0.439   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.681   1.871   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       3.347  -1.979   0.000  0.00  0.00           N+0
HETATM    5  S   UNK     0       0.680  -0.439   0.000  0.00  0.00           S+0
HETATM    6  C   UNK     0       2.014   0.331   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.015  -0.439   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.655  -0.439   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.321   0.331   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.655  -1.979   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      -3.321   1.871   0.000  0.00  0.00           N+0
HETATM   12  S   UNK     0      -0.654   0.331   0.000  0.00  0.00           S+0
HETATM   13  C   UNK     0      -1.988  -0.439   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -5.989   0.331   0.000  0.00  0.00           O+0
CONECT    1    2    3    7                                                  
CONECT    2    1    4    6                                                  
CONECT    3    1                                                            
CONECT    4    2                                                            
CONECT    5    6   12                                                       
CONECT    6    2    5                                                       
CONECT    7    1                                                            
CONECT    8    9   10   14                                                  
CONECT    9    8   11   13                                                  
CONECT   10    8                                                            
CONECT   11    9                                                            
CONECT   12   13    5                                                       
CONECT   13    9   12                                                       
CONECT   14    8                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

Synonyms

Value	Source
(R,R)-3,3'-Dithiobis(2-aminopropanoic acid)	ChEBI
(R-(R,r))-3,3'-dithiobis(2-aminopropanoic acid)	ChEBI
3,3'-Dithiobis-L-alanine	ChEBI
beta,Beta'-diamino-beta,beta'-dicarboxydiethyl disulfide	ChEBI
beta,Beta'-dithiodialanine	ChEBI
Bis(beta-amino-beta-carboxyethyl) disulfide	ChEBI
e921	ChEBI
L-alpha-Diamino-beta-dithiolactic acid	ChEBI
L-Dicysteine	ChEBI
Oxidized L-cysteine	ChEBI
(R,R)-3,3'-Dithiobis(2-aminopropanoate)	Generator
(R-(R,r))-3,3'-dithiobis(2-aminopropanoate)	Generator
b,Beta'-diamino-b,beta'-dicarboxydiethyl disulfide	Generator
b,Beta'-diamino-b,beta'-dicarboxydiethyl disulphide	Generator
beta,Beta'-diamino-beta,beta'-dicarboxydiethyl disulphide	Generator
Β,beta'-diamino-β,beta'-dicarboxydiethyl disulfide	Generator
Β,beta'-diamino-β,beta'-dicarboxydiethyl disulphide	Generator
b,Beta'-dithiodialanine	Generator
Β,beta'-dithiodialanine	Generator
Bis(b-amino-b-carboxyethyl) disulfide	Generator
Bis(b-amino-b-carboxyethyl) disulphide	Generator
Bis(beta-amino-beta-carboxyethyl) disulphide	Generator
Bis(β-amino-β-carboxyethyl) disulfide	Generator
Bis(β-amino-β-carboxyethyl) disulphide	Generator
L-a-Diamino-b-dithiolactate	Generator
L-a-Diamino-b-dithiolactic acid	Generator
L-alpha-Diamino-beta-dithiolactate	Generator
L-Α-diamino-β-dithiolactate	Generator
L-Α-diamino-β-dithiolactic acid	Generator
(-)-Cystine	HMDB
(R-(R,r))-3,3'-dithiobis	HMDB
2-Amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoate	HMDB
2-Amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid	HMDB
2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoate	HMDB
2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoic acid	HMDB
3,3'-Dithiobis	HMDB
3,3'-Dithiobis[2-amino-[R-(r,r)]-propanoate	HMDB
3,3'-Dithiobis[2-amino-[R-(r,r)]-propanoic acid	HMDB
3,3'-Dithiodialanine	HMDB
b,B'-diamino-b,b'-dicarboxydiethyl disulfide	HMDB
b,B'-dithiodialanine	HMDB
beta,Beta'-dithiobisalanine	HMDB
Bis(b-amino-beta-carboxyethyl) disulfide	HMDB
Cysteine disulfide	HMDB
Cystin	HMDB
Cystine	HMDB
Cystine acid	HMDB
D(+)-3,3'-Dithiobis(2-aminopropanoate	HMDB
D(+)-3,3'-Dithiobis(2-aminopropanoic acid	HMDB
Dicysteine	HMDB
Gelucystine	HMDB
L-(-)-Cystine	HMDB
L-Cysteine disulfide	HMDB
L-Cystin	HMDB
[R-(R,r)]-3,3'-dithiobis	HMDB
L Cystine	HMDB
Copper cystinate	HMDB
L-Cystine	KEGG

Molecular Formula

C₆H₁₂N₂O₄S₂

Average Mass

240.3

Monoisotopic Mass

240.023848262

IUPAC Name

(2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid

Traditional Name

L-cystine

CAS Registry Number

Not Available

SMILES

N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1

InChI Key

LEVWYRKDKASIDU-IMJSIDKUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-cysteine-s-conjugates. L-cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-cysteine-S-conjugates

Alternative Parents

Substituents

L-cysteine-s-conjugate
Alpha-amino acid
L-alpha-amino acid
Dicarboxylic acid or derivatives
Organic disulfide
Dialkyldisulfide
Amino acid
Sulfenyl compound
Carboxylic acid
Organopnictogen compound
Organic nitrogen compound
Primary amine
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Amine
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

non-proteinogenic L-alpha-amino acid (CHEBI:16283 )
L-cysteine derivative (CHEBI:16283 )
cystine (CHEBI:16283 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	16.8 g/L	ALOGPS
logP	-3.2	ALOGPS
logP	-5.9	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	1.56	ChemAxon
pKa (Strongest Basic)	9.34	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	126.64 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	54.87 m³·mol⁻¹	ChemAxon
Polarizability	22.77 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (4 TMS)	splash10-00kb-0950000000-a803bc05843192dd737d	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-00kb-0940000000-f82b905ef9e7c9e47552	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (4 TMS)	splash10-00di-9850000000-49b9a52a8387d6d6f272	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-014j-1970000000-9576699202733d4fd7ed	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00kb-0950000000-a803bc05843192dd737d	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9850000000-49b9a52a8387d6d6f272	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-014j-1970000000-9576699202733d4fd7ed	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00kb-0930000000-7cb336c3f272fd0fcd6b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00kb-0920000000-1c414573da4bbe4a66dd	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0076-9400000000-211575093fd775db5d54	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0076-9112000000-ee49e3b674a4f8bb9ecd	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0006-0890000000-51a32ee40240e45646bc	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-00di-9700000000-4054924ddfb90f120e67	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-00di-9100000000-085d45702e61de0f8e4d	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-00di-9710000000-9321541af2ad89bd0478	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, negative	splash10-000i-0090000000-041bfa55cb183f42f454	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 1V, negative	splash10-000i-0190000000-3611e8b6715129842130	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 2V, negative	splash10-000i-0190000000-dbafdd64edad14af9281	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 2V, negative	splash10-000i-0290000000-6b80d283287249ba4b87	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 3V, negative	splash10-000i-0390000000-c091ce388dfcbd339e3f	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 3V, negative	splash10-0079-0690000000-c808ac294a0bc182c5eb	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 4V, negative	splash10-0079-0970000000-36297b29c4ef45c658e3	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 4V, negative	splash10-00dr-0940000000-a8c735a0f9082cfd7c7c	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, negative	splash10-00di-1920000000-9d55705325536cca5eb2	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 5V, negative	splash10-00di-1910000000-cd18de2585913152e907	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 6V, negative	splash10-00di-1900000000-3118609f8682bee472c6	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 7V, negative	splash10-00di-2900000000-213ccc3c067486ff9444	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 8V, negative	splash10-00di-3900000000-df68db23afd937a9a75d	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 9V, negative	splash10-00di-4900000000-b46d26f57a194d2ff648	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 10V, negative	splash10-00di-6900000000-5535cccb24de733cada3	2020-07-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-006w-2970000000-b80e0aef184b74ce7a36	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00re-4910000000-a09277c5a6bfc432eb79	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00xu-9600000000-0518bfcaab380952c123	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-3590000000-aa667d3c092c5af3ae7f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00xr-5910000000-122bd251359ca80b184c	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00dr-9300000000-bbb14e684ff7c06e7916	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-000x-9000000000-ae0f516d71e6a49fe52f	2015-03-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25.16 MHz, D₂O, experimental)		2015-03-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

All Tissues
Blood
Cerebrospinal Fluid (CSF)
Feces
Placenta
Urine

Tissue Locations

All Tissues
Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192186	Cystathionine gamma-lyase	Enzyme	P32929	Homo sapiens
MMDBp0193276	Neutral and basic amino acid transport protein rBAT	Unknown	Q07837	Homo sapiens
MMDBp0193280	B(0,+)-type amino acid transporter 1	Unknown	P82251	Homo sapiens
MMDBp0193743	Cystine/glutamate transporter	Unknown	Q9UPY5	Homo sapiens
MMDBp0193821	Neutral amino acid transporter A	Unknown	P43007	Homo sapiens
MMDBp0194001	Monocarboxylate transporter 10	Transporter	Q8TF71	Homo sapiens
MMDBp0196355	Cystinosin	Unknown	O60931	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0000561	Glutathione	L-Cysteine	Not Available	Glutathione:Cystine Oxidoreductase	VMH	15189131 932033
MMDBr0000564	Water	Ammonia	Not Available	L-Cystine Lysteine-Lyase (Deaminating)	VMH	15189131
MMDBr0000571	L-Glutamic acid	L-Glutamic acid	Solute carrier family 3 (amino acid transporter heavy chain), member 2	L-Cystine/L-Glutamate Exchanger	VMH	14770310
MMDBr0000573	L-Cystine	L-Cystine	Solute carrier family 3 (amino acid transporter heavy chain), member 1	L-Cystine/Glycine Exchanger (Cystine In)	VMH	30371894
MMDBr0002440	L-Cysteine	Hydrogen Ion	Thioredoxin reductase 1	NADPH:Coa-Glutathione Oxidoreductase	VMH	18042542
MMDBr0010270	Hydrogen Ion	L-Cysteine	Not Available	L-Cysteine:NAD+ Oxidoreductase;	VMH	30371894
MMDBr0010919	L-Cysteine	L-Cystine	Not Available	Extracellular electron shuttle, riboflavin to cysteine, F. prausnitzii specific	VMH	30371894
MMDBr0010920	L-Cysteine	Water	Not Available	Extracellular electron shuttle, cysteine to oxygen, F. prausnitzii specific	VMH	30371894
MMDBr0017106	Water	(2R)-2-amino-2-carboxylatoethyl-disulfanyl-oxopropanoic acid	L-amino acid oxidase	Oxidation	RHEA	34755880
MMDBr0017249	Adenosine triphosphate	ADP	L-cystine transport system ATP-binding protein TcyN	Transport	RHEA	34755880
MMDBr0017555	Hydrogen Ion	Hydrogen Ion	Cystine transporter	Transport	RHEA	34755880
MMDBr0017556	Hydrogen Ion	Hydrogen Ion	Cystine transporter	Transport	RHEA	34755880
MMDBr0024338	L-Cysteine	Water	Putative peroxiredoxin YkuU		RHEA	34755880
MMDBr0024392	Hydrogen Ion	L-Cysteine	Phosphoadenosine 5'-phosphosulfate reductase	Reduction	RHEA	34755880
MMDBr0024397	Water	Hydrogen Ion	Glycine/sarcosine/betaine reductase complex component A	Reduction	RHEA	34755880
MMDBr0024410	Water	Hydrogen Ion	Glycine/sarcosine/betaine reductase complex component A	Reduction	RHEA	34755880
MMDBr0024423	Water	L-Cysteine	Probable adenosylcobalamin-dependent ribonucleoside-triphosphate reductase	Reduction	RHEA	34755880
MMDBr0024436	Water	Hydrogen Ion	Glycine/sarcosine/betaine reductase complex component A	Reduction	RHEA	34755880
MMDBr0024471	Water	L-Cysteine	Peptide methionine sulfoxide reductase MsrA	Reduction	RHEA	34755880
MMDBr0024570	L-Cysteine	Hydrogen Ion	Sulfiredoxin		RHEA	34755880
MMDBr0024605	L-Cysteine	Hydrogen Ion	Thiol:disulfide interchange protein DsbD	Transfer of electrons from cytoplasmic thioredoxin to the periplasm	RHEA	34755880
MMDBr0024606	L-Cysteine	Hydrogen Ion	Thiol:disulfide interchange protein DsbD	Transfer of electrons from cytoplasmic thioredoxin to the periplasm	RHEA	34755880
MMDBr0024644	Water	L-Cysteine	Peptide methionine sulfoxide reductase MsrA	Reduction	RHEA	34755880
MMDBr0024657	L-Cysteine	Hydrogen Ion	Putative thioredoxin reductase	Reduction	RHEA	34755880
MMDBr0024658	L-Cysteine	Hydrogen Ion	Thioredoxin reductase 1	Reduction	RHEA	34755880
MMDBr0024680	Water	L-Cysteine	Free methionine-R-sulfoxide reductase	Reduction	RHEA	34755880
MMDBr0024692	L-Cysteine	Pyruvic acid	3-mercaptopyruvate sulfurtransferase	Sulfuration	RHEA	34755880
MMDBr0024693	L-Cysteine	Pyruvic acid	3-mercaptopyruvate sulfurtransferase	Sulfuration	RHEA	34755880
MMDBr0024700	Hydrogen Ion	L-Cysteine	Adenosine 5'-phosphosulfate reductase	Reduction	RHEA	34755880
MMDBr0024736	Water	L-Cysteine	Vitamin B12-dependent ribonucleoside-diphosphate reductase	Reduction	RHEA	34755880
MMDBr0024768	Water	L-Cysteine	Peptide methionine sulfoxide reductase MsrB	Reduction	RHEA	34755880
MMDBr0024769	L-Cysteine	Water	Peptide methionine sulfoxide reductase 2	Reduction	RHEA	34755880
MMDBr0025054	Hydrogen Ion	L-Cysteine	Ferredoxin-thioredoxin reductase, catalytic chain	Reduction	RHEA	34755880
MMDBr0025177	Hydrogen Ion	Water	Arsenate reductase	Reduction	RHEA	34755880
MMDBr0025257	Water	Hydrogen Ion	Sulfite reductase, dissimilatory-type subunit alpha	Reduction	RHEA	34755880
MMDBr0025403	Water	Hydrogen Ion	Dissimilatory sulfite reductase MccA	Reduction	RHEA	34755880
MMDBr0025786	L-Cysteine	Water	Peroxiredoxin	Oxidation	RHEA	34755880
MMDBr0025787	L-Cysteine	Water	Peroxiredoxin PRX1, mitochondrial		RHEA	34755880
MMDBr0025790	L-Cysteine	Water	Alkyl hydroperoxide reductase E	Reduction	RHEA	34755880
MMDBr0026026	Water	L-Cysteine	Probable adenosylcobalamin-dependent ribonucleoside-triphosphate reductase	Reduction	RHEA	34755880
MMDBr0026027	Water	L-Cysteine	Probable adenosylcobalamin-dependent ribonucleoside-triphosphate reductase	Reduction	RHEA	34755880
MMDBr0026028	Water	L-Cysteine	Probable adenosylcobalamin-dependent ribonucleoside-triphosphate reductase	Reduction	RHEA	34755880
MMDBr0026029	Water	L-Cysteine	Probable adenosylcobalamin-dependent ribonucleoside-triphosphate reductase	Reduction	RHEA	34755880
MMDBr0026057	L-Cystine	L-Cysteine	Vitamin B12-dependent ribonucleoside-diphosphate reductase	Reduction	RHEA	34755880
MMDBr0026058	L-Cystine	L-Cysteine	Vitamin B12-dependent ribonucleoside-diphosphate reductase	Reduction	RHEA	34755880
MMDBr0026060	L-Cystine	L-Cysteine	Vitamin B12-dependent ribonucleoside-diphosphate reductase	Reduction	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Acute seizures	Slight Decrease	Association	Human Blood	HMDB	14992292
Alzheimer's disease		Association	Human Blood	HMDB	17031479
Alzheimer's disease	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	17031479
Alzheimer's disease	Increased	Association	Human Urine	HMDB	17031479
Cystinuria	Increased	Association	Human Urine	HMDB	14586528
Cystinuria	Increased	Association	Human Urine	HMDB	8890399
Cystinuria	Increased	Association	Human Urine	HMDB	8587621
Fumarase deficiency	Increased	Association	Human Urine	HMDB	20549362
Hyperdibasic aminoaciduria i		Association	Human Urine	HMDB	5727921
Juvenile myoclonic epilepsy	Decreased	Association	Human Blood	HMDB	14992292
Parkinson's disease	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	12834252
Refractory localization-related epilepsy	Slight Decrease	Association	Human Blood	HMDB	14992292
Eosinophilic esophagitis	Slight Decrease	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Cystinuria		Association	Human Urine	HMDB	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)
Cystinuria	Increased	Association	Human Urine	HMDB	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Verrucomicrobia	1	Human feces; Human stool; Human ; Human urine	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Bacteroidetes	4	Human feces; Human stool; Human ; Human urine	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Actinobacteria	1	Human ; Human supragingival plaque; Human subgingival plaque; Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Firmicutes	20	Human stool; Human ; Human feces; Human urine; Human sputum	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	2	Human stool; Human ; Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria/NULL	Actinobacteria	1	Human ; Human supragingival plaque; Human subgingival plaque; Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	30.1		24.5	35.7	uM	Adult (>18 years old)	Both	Acute seizures	HMDB	14992292
Human Blood	Detected and Quantified	209.0	46.0			uM	Elderly (>65 years old)	Both	Alzheimer's Disease	HMDB	17031479
Human Cerebrospinal fluid (csf)	Detected and Quantified	7.8	2.5			umol/mmol creatinine	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	17031479
Human Urine	Detected and Quantified	72.03	12.0			umol/mmol creatinine	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	17031479
Human Urine	Detected and Quantified	463.1				umol/mmol creatinine	Adult (>18 years old)	Both	Cystinuria	HMDB	14586528
Human Urine	Detected and Quantified	> 117				umol/mmol creatinine	Adult (>18 years old)	Both	Cystinuria	HMDB	8890399
Human Urine	Detected and Quantified			136.5	79.36	umol/mmol creatinine	Children (1-13 years old)	Male	Cystinuria	HMDB	8587621
Human Urine	Detected and Quantified			90.800	558.500	umol/mmol creatinine	Adult (>18 years old)	Both	Cystinuria	HMDB	14586528
Human Urine	Detected and Quantified			135.900	156.400	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Fumaric aciduria	HMDB	20549362
Human Urine	Detected and Quantified			4.423	24.136	umol/mmol creatinine	Children (1-13 years old)	Female	Dibasic Amino Aciduria I	HMDB	5727921
Human Urine	Detected and Quantified			5.975	24.136	umol/mmol creatinine	Children (1 - 13 years old)	Female	Hyperdibasic aminoaciduria I	HMDB	5727921
Human Urine	Detected and Quantified			6.681	2.305	umol/mmol creatinine	Adult (>18 years old)	Both	Hyperdibasic aminoaciduria I	HMDB	5727921
Human Urine	Detected and Quantified			6.681	21.125	umol/mmol creatinine	Adult (>18 years old)	Both	Dibasic Amino Aciduria I	HMDB	5727921
Human Urine	Detected and Quantified			908	5585	umol/mmol creatinine	Adult (>18 years old)	Both	Hyperlysinuria	HMDB	14586528
Human Blood	Detected and Quantified	28.6		24.2	33.0	uM	Children (1-13 years old)	Both	Juvenile myoclonic epilepsy (JME)	HMDB	14992292
Human Urine	Detected and Quantified	0				umol/mmol creatinine	Children (1-13 years old)	Not Specified	Molybdenum cofactor deficiency	HMDB	8051926
Human Urine	Detected and Quantified	7				umol/mmol creatinine	Newborn (0-30 days old)	Not Specified	Molybdenum cofactor deficiency	HMDB	8051926
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.31	0.06			uM	Adult (>18 years old)	Both	Parkinson's Disease	HMDB	12834252
Human Blood	Detected and Quantified	37.2		34.6	39.8	uM	Adult (>18 years old)	Both	Refractory localization-related epilepsy (RLE)	HMDB	14992292
Human Urine	Detected and Quantified	10.5				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	19309105
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.29	0.27			uM	Adult (>18 years old)	Both	Normal	HMDB	12834252
Human Urine	Detected and Quantified	10.05	28.34			umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	2026685
Human Urine	Detected and Quantified	10.351	4.234			umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	5727921
Human Urine	Detected and Quantified	10.351	4.234			umol/mmol creatinine	Not Specified	Not Specified	Normal	HMDB	5727921
Human Urine	Detected and Quantified	12.5		5.0	24.6	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	128.89	56.53			umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	19468821
Human Urine	Detected and Quantified	152.63	76.88			umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	19468821
Human Blood	Detected and Quantified			17	98	uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	20549362
Human Urine	Detected and Quantified			2	51	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	30830347
Human Urine	Detected and Quantified	2.61	1.42			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15992788
Human Urine	Detected and Quantified			5.314	22.612	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	20549362
Human Blood	Detected and Quantified	62.9	27.8			uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Urine	Detected and Quantified	89.32	56.53			umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	19468821
Human Urine	Detected and Quantified	17.486	14.104			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	575.0		150.0	1000.0	umol/mmol creatinine	Children (1-13 years old)	Both	Cystinuria	HMDB	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)
Human Urine	Detected and Quantified	65.0		30.0	100.0	umol/mmol creatinine	Adult (>18 years old)	Both	Cystinuria	HMDB	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)
Human Urine	Detected and Quantified	27.821	17.962			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Cerebrospinal fluid (csf)	Detected and Quantified			0	1.5	uM	Children (0 - 10 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Cerebrospinal fluid (csf)	Detected and Quantified			0	1.5	uM	Adolescent (>11 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			1.70	17.86	umol/mmol creatinine	Adult (>21 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			1.70	20.92	umol/mmol creatinine	Adolescent (13 - 21 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			12.10	43.64	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			15	65	uM	Children (6 - 18 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			2.71	12.10	umol/mmol creatinine	Children (4 - 13 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			2.71	15.60	umol/mmol creatinine	Children (2 - 4 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			26	61	uM	Infant (1 - 3 months old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			26	77	uM	Newborn (0-30 days old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			3.84	13.23	umol/mmol creatinine	Children (1 - 2 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			5.09	15.60	umol/mmol creatinine	Infant (6 months - <1 year old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			6.22	26.12	umol/mmol creatinine	Infant (1 - 6 months old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			8	68	uM	Children (3 months - 6 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			2.92	54.16	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	David F. Putnam Composition and Concentrative Properties of Human Urine. NASA Contractor Report. July 1971
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.1	0.1			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	0.15		0.1	0.2	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	107.0	23.0			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	109.0	18.0			uM	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	109.0	24.0			uM	Adult (>18 years old)	Female	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	118.0	17.0			uM	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	130.0	20.0			uM	Newborn (0-30 days old)	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	3.6	2.0			umol/mmol creatinine	Children (1-13 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	7.0	3.0			umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	87.0	13.0			uM	Children (1-13 years old)	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	9.0	3.0			umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	91.0	20.0			uM	Children (1-13 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	96.0	19.0			uM	Children (1-13 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	<11.76				umol/mmol creatinine	Adolescent (13-18 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified	<14.71				umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified	<6.33				umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			1.13	11.086	umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			1.24	15.045	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			1.36	57.00	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human All tissues	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	21389975
Human Feces	Detected but not Quantified						Not Specified	Both	Normal	HMDB	25486321
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	22024767
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	22024767
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000192

DrugBank ID

DB00138

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

16283

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Kubilus J, MacDonald MJ, Baden HP: Epidermal proteins of cultured human and bovine keratinocytes. Biochim Biophys Acta. 1979 Jun 19;578(2):484-92. doi: 10.1016/0005-2795(79)90178-8. [PubMed:486533 ]
Mogil'naia GM, Shubich MG: [Comparison of the histochemical bases of epidermis differentiation in vertebrates]. Arkh Anat Gistol Embriol. 1976 Mar;70(3):46-52. [PubMed:1275714 ]
Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38. doi: 10.1016/0378-4347(91)80571-s. [PubMed:2026685 ]
Tezuka T, Takahashi M: The cystine-rich envelope protein from human epidermal stratum corneum cells. J Invest Dermatol. 1987 Jan;88(1):47-51. doi: 10.1111/1523-1747.ep12464862. [PubMed:3794387 ]
Behr T, Becker W, Hannappel E, Goldenberg DM, Wolf F: Targeting of liver metastases of colorectal cancer with IgG, F(ab')2, and Fab' anti-carcinoembryonic antigen antibodies labeled with 99mTc: the role of metabolism and kinetics. Cancer Res. 1995 Dec 1;55(23 Suppl):5777s-5785s. [PubMed:7493346 ]
Terada T, Maeda H, Okamoto K, Nishinaka T, Mizoguchi T, Nishihara T: Modulation of glutathione S-transferase activity by a thiol/disulfide exchange reaction and involvement of thioltransferase. Arch Biochem Biophys. 1993 Jan;300(1):495-500. doi: 10.1006/abbi.1993.1067. [PubMed:8424686 ]
Mitchell BF, Chibbar R: Synthesis and metabolism of oxytocin in late gestation in human decidua. Adv Exp Med Biol. 1995;395:365-80. [PubMed:8713992 ]
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Showing metabocard for L-Cystine (MMDBc0000499)

MOL for #<Metabolite:0x000055d246da7848>

3D MOL for #<Metabolite:0x000055d246da7848>

3D SDF for #<Metabolite:0x000055d246da7848>

3D-SDF for #<Metabolite:0x000055d246da7848>

PDB for #<Metabolite:0x000055d246da7848>

3D PDB for #<Metabolite:0x000055d246da7848>

SMILES for #<Metabolite:0x000055d246da7848>

INCHI for #<Metabolite:0x000055d246da7848>

Structure for #<Metabolite:0x000055d246da7848>

3D Structure for #<Metabolite:0x000055d246da7848>