Milk Composition Database: Showing metabocard for Hydrogen sulfide (BMDB0003276)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:03:26 UTC

Update Date

2020-06-04 20:44:28 UTC

MCDB ID

BMDB0003276

Secondary Accession Numbers

BMDB03276

Metabolite 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 exists as a solid, possibly soluble (in water), and possibly neutral molecule. Hydrogen sulfide exists in all living species, ranging from bacteria to humans. Hydrogen sulfide is a potentially toxic compound.

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

34.081

Monoisotopic Molecular Weight

33.987720754

IUPAC Name

hydrogen sulfide

Traditional Name

hydrogen sulfide

CAS Registry Number

7783-06-4

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 )

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	-85.49 °C	Not Available
Boiling Point	Not Available	Not Available
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	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-03di-1900000000-447434090a2b915c1731	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-03di-1900000000-447434090a2b915c1731	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9000000000-3a89a2549173c5c1687f	2016-09-22	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 (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-2d63abb89fd699a31707	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-05710009cb2405db27bd	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-942ac689538269d6ca7b	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-942ac689538269d6ca7b	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-942ac689538269d6ca7b	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-db65f6d26b49c6300706	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-db65f6d26b49c6300706	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-db65f6d26b49c6300706	2021-09-22	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-001i-9000000000-5373be1d46feb66d09a8	2015-03-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CS₂, experimental)	Not Available	2015-03-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	2021-09-25	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	0.019 uM	PMID: 16840607	details
Detected and Quantified	0.0284 uM	PMID: 16840607	details
Detected and Quantified	0.0178 uM	PMID: 16840607	details
Detected and Quantified	0.0263 uM	PMID: 16840607	details
Detected and Quantified	0.0187 uM	PMID: 16840607	details
Detected and Quantified	0.0154 uM	PMID: 16840607	details
Detected and Quantified	0.0145 uM	PMID: 16840607	details
Detected and Quantified	0.0314 uM	PMID: 16840607	details
Detected and Quantified	0.0538 uM	PMID: 16840607	details
Detected and Quantified	0.0366 uM	PMID: 16840607	details
Detected and Quantified	0.105 uM	PMID: 16840607	details
Detected and Quantified	0.363 uM	PMID: 16840607	details

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

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Vazquez-Landaverde PA, Torres JA, Qian MC: Quantification of trace volatile sulfur compounds in milk by solid-phase microextraction and gas chromatography-pulsed flame photometric detection. J Dairy Sci. 2006 Aug;89(8):2919-27. doi: 10.3168/jds.S0022-0302(06)72564-4. [PubMed:16840607 ]

Showing metabocard for Hydrogen sulfide (BMDB0003276)

Structure for BMDB0003276 (Hydrogen sulfide)