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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-08-12 20:29:18 UTC

Update Date

2021-10-13 04:41:39 UTC

HMDB ID

HMDB0003417

Secondary Accession Numbers

HMDB03417

Metabolite Identification

Common Name

D-Cysteine

Description

D-cysteine is an optically active form of cysteine having D-configuration. It is a cysteine and a D-alpha-amino acid. It is a conjugate base of a D-cysteinium. It is a conjugate acid of a D-cysteinate(1-). It is an enantiomer of a L-cysteine. It is a tautomer of a D-cysteine zwitterion. D-Cysteine, also known as D-cystein or DCY, belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. It is a non-proteogenic sulfur-containing amino acid. D-Cysteine is known to be toxic to bacteria and several bacteria (and plants) have developed and enzyme called D-cysteine desulfhydrase (EC4.1.99.4). D-cysteine can be generated from D-Cysteine via cysteine racemase. D-Cysteine is a naturally occurring enantiomer of L-Cysteine. Cysteine is named after cystine, which comes from the Greek word kustis meaning bladder -cystine was first isolated from kidney stones. D-Cysteine exists in all living species, ranging from bacteria to humans. Outside of the human body, D-Cysteine has been detected, but not quantified in several different foods, such as chervils, fruits, lichee, nuts, and cherimoya.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S)-2-Amino-3-mercaptopropanoic acid	ChEBI
(2S)-2-Amino-3-sulfanylpropanoic acid	ChEBI
(S)-2-Amino-3-mercaptopropanoic acid	ChEBI
D-Amino-3-mercaptopropionic acid	ChEBI
D-Cystein	ChEBI
D-Zystein	ChEBI
DCY	ChEBI
(2S)-2-Amino-3-mercaptopropanoate	Generator
(2S)-2-Amino-3-sulfanylpropanoate	Generator
(2S)-2-Amino-3-sulphanylpropanoate	Generator
(2S)-2-Amino-3-sulphanylpropanoic acid	Generator
(S)-2-Amino-3-mercaptopropanoate	Generator
D-Amino-3-mercaptopropionate	Generator
Cysteine	MeSH, HMDB
Half cystine	MeSH, HMDB
Cysteine hydrochloride	MeSH, HMDB
Half-cystine	MeSH, HMDB
L-Cysteine	MeSH, HMDB
L Cysteine	MeSH, HMDB
Zinc cysteinate	MeSH, HMDB

Chemical Formula

C₃H₇NO₂S

Average Molecular Weight

121.15

Monoisotopic Molecular Weight

121.019749643

IUPAC Name

(2S)-2-amino-3-sulfanylpropanoic acid

Traditional Name

L cysteine

CAS Registry Number

921-01-7

SMILES

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

InChI Identifier

InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1

InChI Key

XUJNEKJLAYXESH-UWTATZPHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cysteine and derivatives. Cysteine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine 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

Cysteine and derivatives

Alternative Parents

Substituents

Cysteine or derivatives
Alpha-amino acid
D-alpha-amino acid
Amino acid
Alkylthiol
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Primary amine
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Hydrocarbon derivative
Organopnictogen compound
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

D-alpha-amino acid (CHEBI:16375 )
cysteine (CHEBI:16375 )
Other amino acids (C00793 )

Ontology

Disposition

Biological location

Cellular substructure

Cytoplasm

Non-excretory biofluid

Saliva

Herbal tea

Herbal teas

Greenthread tea

Lentils

Onion-family vegetables

Cabbages

Other vegetables

Mushrooms

Cereals and cereal products

Cereals

Cereal products

Doughs

Sourdough

Cocoa and cocoa products

Cocoa

Cocoa bean

Beverages

Fermented beverages

Beer

Horse

Lagomorphs

Ovis

Sheep (Mutton, Lamb)

Caprae

Domestic goat

Soy

Soy bean

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	293.90 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	113200 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	0.230 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	23.1 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-2.8	ChemAxon
logS	-0.72	ALOGPS
pKa (Strongest Acidic)	2.35	ChemAxon
pKa (Strongest Basic)	9.05	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	28.22 m³·mol⁻¹	ChemAxon
Polarizability	11.4 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]+	123.255	31661259
DarkChem	[M-H]-	119.157	31661259
DeepCCS	[M+H]+	122.908	30932474
DeepCCS	[M-H]-	120.012	30932474
DeepCCS	[M-2H]-	156.507	30932474
DeepCCS	[M+Na]+	131.467	30932474
AllCCS	[M+H]+	130.1	32859911
AllCCS	[M+H-H2O]+	126.0	32859911
AllCCS	[M+NH4]+	134.0	32859911
AllCCS	[M+Na]+	135.1	32859911
AllCCS	[M-H]-	128.7	32859911
AllCCS	[M+Na-2H]-	132.6	32859911
AllCCS	[M+HCOO]-	136.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Cysteine	N[C@H](CS)C(O)=O	2227.2	Standard polar	33892256
D-Cysteine	N[C@H](CS)C(O)=O	1161.7	Standard non polar	33892256
D-Cysteine	N[C@H](CS)C(O)=O	1654.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Cysteine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](N)CS	1232.3	Semi standard non polar	33892256
D-Cysteine,1TMS,isomer #2	C[Si](C)(C)SC[C@@H](N)C(=O)O	1396.7	Semi standard non polar	33892256
D-Cysteine,1TMS,isomer #3	C[Si](C)(C)N[C@H](CS)C(=O)O	1356.8	Semi standard non polar	33892256
D-Cysteine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](N)CS[Si](C)(C)C	1430.6	Semi standard non polar	33892256
D-Cysteine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](N)CS[Si](C)(C)C	1483.2	Standard non polar	33892256
D-Cysteine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](N)CS[Si](C)(C)C	1966.7	Standard polar	33892256
D-Cysteine,2TMS,isomer #2	C[Si](C)(C)N[C@H](CS)C(=O)O[Si](C)(C)C	1373.0	Semi standard non polar	33892256
D-Cysteine,2TMS,isomer #2	C[Si](C)(C)N[C@H](CS)C(=O)O[Si](C)(C)C	1346.7	Standard non polar	33892256
D-Cysteine,2TMS,isomer #2	C[Si](C)(C)N[C@H](CS)C(=O)O[Si](C)(C)C	1622.8	Standard polar	33892256
D-Cysteine,2TMS,isomer #3	C[Si](C)(C)N[C@H](CS[Si](C)(C)C)C(=O)O	1507.3	Semi standard non polar	33892256
D-Cysteine,2TMS,isomer #3	C[Si](C)(C)N[C@H](CS[Si](C)(C)C)C(=O)O	1480.2	Standard non polar	33892256
D-Cysteine,2TMS,isomer #3	C[Si](C)(C)N[C@H](CS[Si](C)(C)C)C(=O)O	1939.2	Standard polar	33892256
D-Cysteine,2TMS,isomer #4	C[Si](C)(C)N([C@H](CS)C(=O)O)[Si](C)(C)C	1542.8	Semi standard non polar	33892256
D-Cysteine,2TMS,isomer #4	C[Si](C)(C)N([C@H](CS)C(=O)O)[Si](C)(C)C	1433.3	Standard non polar	33892256
D-Cysteine,2TMS,isomer #4	C[Si](C)(C)N([C@H](CS)C(=O)O)[Si](C)(C)C	1777.1	Standard polar	33892256
D-Cysteine,3TMS,isomer #1	C[Si](C)(C)N[C@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C	1547.8	Semi standard non polar	33892256
D-Cysteine,3TMS,isomer #1	C[Si](C)(C)N[C@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C	1544.9	Standard non polar	33892256
D-Cysteine,3TMS,isomer #1	C[Si](C)(C)N[C@H](CS[Si](C)(C)C)C(=O)O[Si](C)(C)C	1647.5	Standard polar	33892256
D-Cysteine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](CS)N([Si](C)(C)C)[Si](C)(C)C	1560.2	Semi standard non polar	33892256
D-Cysteine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](CS)N([Si](C)(C)C)[Si](C)(C)C	1545.0	Standard non polar	33892256
D-Cysteine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](CS)N([Si](C)(C)C)[Si](C)(C)C	1630.8	Standard polar	33892256
D-Cysteine,3TMS,isomer #3	C[Si](C)(C)SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1674.3	Semi standard non polar	33892256
D-Cysteine,3TMS,isomer #3	C[Si](C)(C)SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1640.0	Standard non polar	33892256
D-Cysteine,3TMS,isomer #3	C[Si](C)(C)SC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1769.1	Standard polar	33892256
D-Cysteine,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1709.4	Semi standard non polar	33892256
D-Cysteine,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1691.1	Standard non polar	33892256
D-Cysteine,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](CS[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1597.8	Standard polar	33892256
D-Cysteine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CS	1477.3	Semi standard non polar	33892256
D-Cysteine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)SC[C@@H](N)C(=O)O	1634.9	Semi standard non polar	33892256
D-Cysteine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@H](CS)C(=O)O	1628.9	Semi standard non polar	33892256
D-Cysteine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CS[Si](C)(C)C(C)(C)C	1910.9	Semi standard non polar	33892256
D-Cysteine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CS[Si](C)(C)C(C)(C)C	1945.2	Standard non polar	33892256
D-Cysteine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](N)CS[Si](C)(C)C(C)(C)C	2095.6	Standard polar	33892256
D-Cysteine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H](CS)C(=O)O[Si](C)(C)C(C)(C)C	1841.2	Semi standard non polar	33892256
D-Cysteine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H](CS)C(=O)O[Si](C)(C)C(C)(C)C	1804.2	Standard non polar	33892256
D-Cysteine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H](CS)C(=O)O[Si](C)(C)C(C)(C)C	1889.6	Standard polar	33892256
D-Cysteine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@H](CS[Si](C)(C)C(C)(C)C)C(=O)O	1997.9	Semi standard non polar	33892256
D-Cysteine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@H](CS[Si](C)(C)C(C)(C)C)C(=O)O	1935.6	Standard non polar	33892256
D-Cysteine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@H](CS[Si](C)(C)C(C)(C)C)C(=O)O	2068.0	Standard polar	33892256
D-Cysteine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N([C@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C	2011.1	Semi standard non polar	33892256
D-Cysteine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N([C@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C	1890.2	Standard non polar	33892256
D-Cysteine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N([C@H](CS)C(=O)O)[Si](C)(C)C(C)(C)C	1926.0	Standard polar	33892256
D-Cysteine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2209.4	Semi standard non polar	33892256
D-Cysteine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2208.7	Standard non polar	33892256
D-Cysteine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](CS[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2038.9	Standard polar	33892256
D-Cysteine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2226.0	Semi standard non polar	33892256
D-Cysteine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2211.8	Standard non polar	33892256
D-Cysteine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CS)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1954.6	Standard polar	33892256
D-Cysteine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)SC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2354.4	Semi standard non polar	33892256
D-Cysteine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)SC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2283.6	Standard non polar	33892256
D-Cysteine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)SC[C@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2091.4	Standard polar	33892256
D-Cysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2581.8	Semi standard non polar	33892256
D-Cysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2504.1	Standard non polar	33892256
D-Cysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CS[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2105.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-Cysteine GC-MS (Non-derivatized) - 70eV, Positive	splash10-004l-9100000000-4553906a941a5e87ec97	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Cysteine GC-MS (1 TMS) - 70eV, Positive	splash10-004i-9200000000-cfaf705cd0452d428454	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Cysteine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-Cysteine 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Cysteine Quattro_QQQ 10V, N/A-QTOF (Annotated)	splash10-056r-9300000000-ed3d829a54e4ac06325d	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Cysteine Quattro_QQQ 25V, N/A-QTOF (Annotated)	splash10-0a4i-9000000000-224425097c9b1883d266	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - D-Cysteine Quattro_QQQ 40V, N/A-QTOF (Annotated)	splash10-0a4i-9000000000-39cb21d5fd8f893ba8fd	2012-07-25	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 10V, Positive-QTOF	splash10-00b9-9600000000-4352a7b437c34c04d9f0	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 20V, Positive-QTOF	splash10-004i-9200000000-7b4cd034c717561c61dd	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 40V, Positive-QTOF	splash10-052f-9000000000-8f351cbca6ffed356a9b	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 10V, Negative-QTOF	splash10-00di-6900000000-51ba0df80cc33423420b	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 20V, Negative-QTOF	splash10-0079-9400000000-4aa2b707c391d5838d29	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 40V, Negative-QTOF	splash10-001i-9000000000-95c7672c7836c0fc51c9	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 10V, Negative-QTOF	splash10-00e9-8900000000-c05a34dee4bebd8457da	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 20V, Negative-QTOF	splash10-001i-9000000000-942ac689538269d6ca7b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 40V, Negative-QTOF	splash10-001i-9000000000-942ac689538269d6ca7b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 10V, Positive-QTOF	splash10-0a6r-9200000000-9d710aa92c54b66150d6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 20V, Positive-QTOF	splash10-0a6r-9000000000-e5d74af54cd557ea9df0	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Cysteine 40V, Positive-QTOF	splash10-0a4i-9000000000-f349eed712afbbc2670a	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Saliva

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Saliva	Detected and Quantified	8.643 +/- 2.11 uM	Adult (>18 years old)	Both	Normal	Zerihun T. Dame, ...	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB03201

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cysteine

METLIN ID

Not Available

PubChem Compound

92851

PDB ID

Not Available

ChEBI ID

16375

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1353141

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Tsukamoto S, Kanegae T, Nagoya T, Shimamura M, Mieda Y, Nomura M, Hojo K, Okubo H: Effects of amino acids on acute alcohol intoxication in mice--concentrations of ethanol, acetaldehyde, acetate and acetone in blood and tissues. Arukoru Kenkyuto Yakubutsu Ison. 1990 Oct;25(5):429-40. [PubMed:2275637 ]
Riemenschneider A, Wegele R, Schmidt A, Papenbrock J: Isolation and characterization of a D-cysteine desulfhydrase protein from Arabidopsis thaliana. FEBS J. 2005 Mar;272(5):1291-304. [PubMed:15720402 ]

Showing metabocard for D-Cysteine (HMDB0003417)

MOL for HMDB0003417 (D-Cysteine)

3D MOL for HMDB0003417 (D-Cysteine)

3D SDF for HMDB0003417 (D-Cysteine)

3D-SDF for HMDB0003417 (D-Cysteine)

PDB for HMDB0003417 (D-Cysteine)

3D PDB for HMDB0003417 (D-Cysteine)

SMILES for HMDB0003417 (D-Cysteine)

INCHI for HMDB0003417 (D-Cysteine)

Structure for HMDB0003417 (D-Cysteine)

3D Structure for HMDB0003417 (D-Cysteine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra