stearoyl-CoA (CHEBI:15541)

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CHEBI:15541 - stearoyl-CoA

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ChEBI Name	stearoyl-CoA

ChEBI ID	CHEBI:15541

Definition	A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of stearic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:9256, CHEBI:15107, CHEBI:26754

Supplier Information	eMolecules:23904782, ZINC000035822503

Download	Molfile XML SDF

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The Resolver thinks Mol

ST9 - Ideal conformer

Mrv1927 06092115253D

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Mrv1927 06092115253D

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M END): 37 ms

reading 137 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

137 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Wikipedia	License
Stearoyl-CoA is a coenzyme involved in the metabolism of fatty acids. Stearoyl-CoA is an 18-carbon long fatty acyl-CoA chain that participates in an unsaturation reaction. The reaction is catalyzed by the enzyme stearoyl-CoA desaturase, which is located in the endoplasmic reticulum. It forms a cis-double bond between the ninth and tenth carbons within the chain to form the product oleoyl-CoA.
Read full article at Wikipedia

Formula

C39H70N7O17P3S

Net Charge

Average Mass

1034.000

Monoisotopic Mass

1033.37618

InChI

InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1

InChIKey

SIARJEKBADXQJG-LFZQUHGESA-N

SMILES

CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Chemical Role(s):	acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA )

Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	stearoyl-CoA (CHEBI:15541) has functional parent octadecanoic acid (CHEBI:28842) stearoyl-CoA (CHEBI:15541) has role Escherichia coli metabolite (CHEBI:76971) stearoyl-CoA (CHEBI:15541) has role mouse metabolite (CHEBI:75771) stearoyl-CoA (CHEBI:15541) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) stearoyl-CoA (CHEBI:15541) is a long-chain fatty acyl-CoA (CHEBI:33184) stearoyl-CoA (CHEBI:15541) is a saturated fatty acyl-CoA (CHEBI:231546) stearoyl-CoA (CHEBI:15541) is conjugate acid of stearoyl-CoA(4−) (CHEBI:57394)

Incoming	stearoyl-CoA(4−) (CHEBI:57394) is conjugate base of stearoyl-CoA (CHEBI:15541)

IUPAC Name

3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)

Synonyms	Sources
C18:0-CoA	ChEBI
C18:0-coenzyme A	ChEBI
octadecanoyl-CoA	ChEBI
octadecanoyl-coenzyme A	ChEBI
S-stearoyl-CoA	ChEBI
S-stearoylcoenzyme A	ChemIDplus
Stearoyl-CoA	KEGG COMPOUND
stearoyl-coenzyme A	ChEBI
Stearyl coenzyme A	KEGG COMPOUND
Stearyl-CoA	KEGG COMPOUND

Manual Xrefs	Databases
84957	ChemSpider
C00412	KEGG COMPOUND
FDB022431	FooDB
HMDB0001114	HMDB
LMFA07050369	LIPID MAPS
ST9	PDBeChem
Stearoyl-CoA	Wikipedia
View more database links

Registry Numbers	Types	Sources
362-66-3	CAS Registry Number	KEGG COMPOUND
362-66-3	CAS Registry Number	ChemIDplus
8033851	Reaxys Registry Number	Reaxys

Citations

Last Modified

07 June 2024

General Comment
2011-05-13	A long-chain fatty acyl-CoA thioester that acts as an intermediate metabolite in the biosynthesis of monounsaturated fatty acids.

CHEBI:15541 - stearoyl-CoA

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