trans-dec-2-enoyl-CoA (CHEBI:10723)

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CHEBI:10723 - trans-dec-2-enoyl-CoA

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ChEBI ID	CHEBI:10723
ChEBI Name	trans-dec-2-enoyl-CoA
Stars
ASCII Name	trans-dec-2-enoyl-CoA
Definition	An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-dec-2-enoic acid.
Last Modified	5 February 2018
Downloads	Molfile

Formula	C31H52N7O17P3S
Net Charge	0
Average Mass	919.778
Monoisotopic Mass	919.23532
SMILES	CCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChI	InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26+,30-/m1/s1
InChIKey	MGNBGCRQQFMNBM-YJHHLLFWSA-N

Species of Metabolite	Component	Source	Comments
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Chemical Role:	acyl donor Any donor that can transfer acyl groups between molecular entities.
Biological Roles:	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).

ChEBI Ontology

Outgoing Relation(s)
	trans-dec-2-enoyl-CoA (CHEBI:10723) has functional parent trans-2-decenoic acid (CHEBI:50467)
	trans-dec-2-enoyl-CoA (CHEBI:10723) has functional parent coenzyme A (CHEBI:15346)
	trans-dec-2-enoyl-CoA (CHEBI:10723) has role Escherichia coli metabolite (CHEBI:76971)
	trans-dec-2-enoyl-CoA (CHEBI:10723) has role mouse metabolite (CHEBI:75771)
	trans-dec-2-enoyl-CoA (CHEBI:10723) is a trans-2-enoyl-CoA (CHEBI:50998)
	trans-dec-2-enoyl-CoA (CHEBI:10723) is a medium-chain fatty acyl-CoA (CHEBI:61907)
	trans-dec-2-enoyl-CoA (CHEBI:10723) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
	trans-dec-2-enoyl-CoA (CHEBI:10723) is conjugate acid of trans-dec-2-enoyl-CoA(4−) (CHEBI:61406)
Incoming Relation(s)
Incoming Relation(s)	trans-dec-2-enoyl-CoA(4−) (CHEBI:61406) is conjugate base of trans-dec-2-enoyl-CoA (CHEBI:10723)

IUPAC Name
3'-phosphoadenosine 5'-[3-(4-{[3-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]

Synonyms	Source
2E-decenoyl-CoA	LIPID MAPS
(2E)-Decenoyl-CoA	KEGG COMPOUND
(2E)-2-decenoyl-coenzyme A	ChEBI
2E-decenoyl-coenzyme A	ChEBI
2-trans-decenoyl-coenzyme A	ChEBI
trans-2-decenoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
C05275	KEGG COMPOUND
HMDB0003948	HMDB
LMFA07050023	LIPID MAPS

Registry Numbers	Sources
Reaxys:11165744	Reaxys

Citations