Cannabis Compound Database: Showing Compound Card for Hydrogen sulfide (CDB004951)

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Record Information

Version

1.0

Created at

2020-04-17 18:53:50 UTC

Updated at

2020-12-07 19:11:21 UTC

CannabisDB ID

CDB004951

Secondary Accession Numbers

Not Available

Cannabis Compound Identification

Common Name

Hydrogen sulfide

Description

Hydrogen sulfide, also known as sulfide or H2S, belongs to the class of inorganic compounds known as other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals. Hydrogen sulfide is possibly neutral. Hydrogen sulfide exists in all living species, ranging from bacteria to humans. Outside of the human body, Hydrogen sulfide is found, on average, in the highest concentration within milk (cow). Hydrogen sulfide has also been detected, but not quantified in, several different foods, such as sweet cherries, jutes, japanese pumpkins, mentha, and figs. This could make hydrogen sulfide a potential biomarker for the consumption of these foods. Hydrogen sulfide is a potentially toxic compound. Hydrogen sulfide is expected to be in Cannabis as all living plants are known to produce and metabolize it.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[SH2]	ChEBI
Acide sulfhydrique	ChEBI
Dihydrogen monosulfide	ChEBI
Dihydrogen sulfide	ChEBI
H2S	ChEBI
Hydrogen monosulfide	ChEBI
Hydrogen sulphide	ChEBI
Hydrogen-sulfide	ChEBI
Hydrogene sulfure	ChEBI
HYDROsulfURIC ACID	ChEBI
Schwefelwasserstoff	ChEBI
Sulfide	ChEBI
Sulfure d'hydrogene	ChEBI
Acide sulphhydrique	Generator
Dihydrogen monosulphide	Generator
Dihydrogen sulphide	Generator
Hydrogen monosulphide	Generator
Hydrogen-sulphide	Generator
Hydrogene sulphure	Generator
HYDROsulfate	Generator
HYDROsulphate	Generator
HYDROsulphuric acid	Generator
Sulphide	Generator
Sulphure d'hydrogene	Generator
Dihydrogen disulfide	HMDB
Hepatate	HMDB
Hepatic acid	HMDB
Hepatic gas	HMDB
Hydrosulfurate	HMDB
Idrogeno solforato	HMDB
Sewer gas	HMDB
Siarkowodor	HMDB
Sour gas	HMDB
Stink dAMP	HMDB
Sulfur hydride	HMDB
Sulfur hydroxide	HMDB
Sulfureted hydrogen	HMDB
Sulfuretted hydrogen	HMDB
Zwavelwaterstof	HMDB
Sulfide, hydrogen	HMDB
Hydrogen sulfide (H2(SX))	HMDB
Hydrogen sulfide (H2S2)	HMDB
Hydrogen sulfide (H2S3)	HMDB

Chemical Formula

H₂S

Average Molecular Weight

34.08

Monoisotopic Molecular Weight

33.9877

IUPAC Name

hydrogen sulfide

Traditional Name

hydrogen sulfide

CAS Registry Number

11144-15-3

SMILES

InChI Identifier

InChI=1S/H2S/h1H2

InChI Key

RWSOTUBLDIXVET-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal sulfides

Direct Parent

Other non-metal sulfides

Alternative Parents

Inorganic sulfides

Substituents

Other non-metal sulfide
Inorganic sulfide

Molecular Framework

Not Available

External Descriptors

hydracid (CHEBI:16136 )
sulfur hydride (CHEBI:16136 )
mononuclear parent hydride (CHEBI:16136 )
Inorganic fungicides (C00087 )
an inorganic compound (HS )

Ontology

Physiological effect

Health effect:

Health condition:

Hydrogen sulfide poisoning

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Biological location:

Organ and components:

Cell and elements:

Cell:

Nerve cell

Biofluid and excreta:

Role

Biological role:

Molecular messenger:

Signaling molecule

Indirect biological role:

Environmental role:

Air pollutant

Industrial application:

Food and nutrition

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	-85.49 °C	Not Available
Boiling Point	−60 °C	Wikipedia
Water Solubility	3.74 mg/mL at 21 °C	Not Available
logP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.038	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	7.36 m³·mol⁻¹	ChemAxon
Polarizability	3.45 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
EI-MS	Mass Spectrum (Electron Ionization)	splash10-001i-9000000000-5373be1d46feb66d09a8	2015-03-01	View Spectrum
GC-MS	Hydrogen sulfide, 2 TMS, GC-MS Spectrum	splash10-03di-1900000000-447434090a2b915c1731	Spectrum
GC-MS	Hydrogen sulfide, non-derivatized, GC-MS Spectrum	splash10-03di-1900000000-447434090a2b915c1731	Spectrum
Predicted GC-MS	Hydrogen sulfide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-9000000000-3a89a2549173c5c1687f	Spectrum
Predicted GC-MS	Hydrogen sulfide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Hydrogen sulfide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-942ac689538269d6ca7b	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-942ac689538269d6ca7b	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-942ac689538269d6ca7b	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-db65f6d26b49c6300706	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-db65f6d26b49c6300706	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-db65f6d26b49c6300706	2021-09-22	View Spectrum

NMR

Type	Description	View
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CS₂, experimental)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Spectrum

Pathways

Name	SMPDB/Pathwhiz	KEGG
Cysteine Metabolism
Beta-mercaptolactate-cysteine disulfiduria		Not Available
Cystinosis, ocular nonnephropathic		Not Available

Protein Targets

Enzymes

Protein Name	Gene Name	Locus	Uniprot ID	Details
Cystathionine gamma-lyase	CTH	1p31.1	P32929	details
Cystathionine beta-synthase	CBS	21q22.3	P35520	details
Lipoyl synthase, mitochondrial	LIAS	4p14	O43766	details
Cytochrome P450, family 1, subfamily A, polypeptide 1	CYP1A1	15q24.1	A0N0X8	details

Transporters

Not Available

Metal Bindings

Protein Name	Gene Name	Locus	Uniprot ID	Details
Cystathionine beta-synthase	CBS	21q22.3	P35520	details
Cytochrome P450 3A4	CYP3A4	7q21.1	P08684	details
Cytochrome P450 2C9	CYP2C9	10q24	P11712	details
Cytochrome P450 2C19	CYP2C19	10q24	P33261	details
Cytochrome P450 2E1	CYP2E1	10q24.3-qter	P05181	details
Cytochrome P450 3A43	CYP3A43	7q21.1	Q9HB55	details
Cytochrome P450 1B1	CYP1B1	2p22.2	Q16678	details
Cytochrome P450 2C18	CYP2C18	10q24	P33260	details
Cytochrome P450 2F1	CYP2F1	19q13.2	P24903	details
Cytochrome P450 4X1	CYP4X1	1	Q8N118	details
Cytochrome P450 2B6	CYP2B6	19q13.2	P20813	details
Cytochrome P450 3A5	CYP3A5	7q21.1	P20815	details
Cytochrome P450 2A13	CYP2A13	19q13.2	Q16696	details
Cytochrome P450 3A7	CYP3A7	7q21-q22.1	P24462	details
Cytochrome P450 4B1	CYP4B1	1p34-p12	P13584	details
Cytochrome P450 4Z1	CYP4Z1	1p33	Q86W10	details
Cytochrome P450 1A2	CYP1A2	15q24.1	P05177	details
Cytochrome P450 19A1	CYP19A1	15q21.1	P11511	details
Cytochrome P450 2C8	CYP2C8	10q23.33	P10632	details
Cytochrome P450 2S1	CYP2S1	19q13.1	Q96SQ9	details
Cytochrome P450 2J2	CYP2J2	1p31.3-p31.2	P51589	details
Cytochrome P450 2A7	CYP2A7	19q13.2	P20853	details
Cytochrome P450 2A6	CYP2A6	19q13.2	P11509	details
Lipoyl synthase, mitochondrial	LIAS	4p14	O43766	details
Cytochrome P450, family 1, subfamily A, polypeptide 1	CYP1A1	15q24.1	A0N0X8	details

Receptors

Not Available

Transcriptional Factors

Protein Name	Gene Name	Locus	Uniprot ID	Details
Cystathionine gamma-lyase	CTH	1p31.1	P32929	details

Concentrations Data

Not Available

External Links

HMDB ID

HMDB0003276

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Hydrogen_sulfide

METLIN ID

3193

PubChem Compound

402

PDB ID

Not Available

ChEBI ID

16136

References

General References

Not Available

Only showing the first 10 proteins. There are 30 proteins in total.

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Enzymes

Enzyme Details

1. Cystathionine gamma-lyase

General function:: Involved in pyridoxal phosphate binding
Specific function:: Catalyzes the last step in the trans-sulfuration pathway from methionine to cysteine. Has broad substrate specificity. Converts cystathionine to cysteine, ammonia and 2-oxobutanoate. Converts two cysteine molecules to lanthionine and hydrogen sulfide. Can also accept homocysteine as substrate. Specificity depends on the levels of the endogenous substrates. Generates the endogenous signaling molecule hydrogen sulfide (H2S), and so contributes to the regulation of blood pressure. Acts as a cysteine-protein sulfhydrase by mediating sulfhydration of target proteins: sulfhydration consists of converting -SH groups into -SSH on specific cysteine residues of target proteins such as GAPDH, PTPN1 and NF-kappa-B subunit RELA, thereby regulating their function.
Gene Name:: CTH
Uniprot ID:: P32929
Molecular weight:: 41259.91

Enzyme Details

2. Cystathionine beta-synthase

General function:: Involved in cysteine biosynthetic process from serine
Specific function:: Only known pyridoxal phosphate-dependent enzyme that contains heme. Important regulator of hydrogen sulfide, especially in the brain, utilizing cysteine instead of serine to catalyze the formation of hydrogen sulfide. Hydrogen sulfide is a gastratransmitter with signaling and cytoprotective effects such as acting as a neuromodulator in the brain to protect neurons against hypoxic injury (By similarity).
Gene Name:: CBS
Uniprot ID:: P35520
Molecular weight:: 60586.05

Enzyme Details

3. Lipoyl synthase, mitochondrial

General function:: Involved in catalytic activity
Specific function:: Catalyzes the radical-mediated insertion of two sulfur atoms into the C-6 and C-8 positions of the octanoyl moiety bound to the lipoyl domains of lipoate-dependent enzymes, thereby converting the octanoylated domains into lipoylated derivatives (By similarity).
Gene Name:: LIAS
Uniprot ID:: O43766
Molecular weight:: 41910.695

Enzyme Details

4. Cytochrome P450, family 1, subfamily A, polypeptide 1

General function:: Involved in monooxygenase activity
Specific function:: Not Available
Gene Name:: CYP1A1
Uniprot ID:: A0N0X8
Molecular weight:: 58164.8

Only showing the first 10 proteins. There are 30 proteins in total.

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Showing Compound Card for Hydrogen sulfide (CDB004951)

Structure for CDB004951 (Hydrogen sulfide)

Enzymes