trans-dec-3-enoyl-CoA (CHEBI:29126)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:29126 - trans-dec-3-enoyl-CoA

Take structure to advanced search

ChEBI ID	CHEBI:29126
ChEBI Name	trans-dec-3-enoyl-CoA
Stars
ASCII Name	trans-dec-3-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-3-enoic acid.
Last Modified	5 February 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C31H52N7O17P3S
Net Charge	0
Average Mass	919.778
Monoisotopic Mass	919.23532
SMILES	CCCCCC/C=C/CC(=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/h9-10,18-20,24-26,30,41-42H,4-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b10-9+/t20-,24-,25-,26+,30-/m1/s1
InChIKey	CQGVNMQHZQJNII-ZJZQAHHTSA-N

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	trans-dec-3-enoyl-CoA (CHEBI:29126) has functional parent trans-dec-3-enoic acid (CHEBI:37809)
	trans-dec-3-enoyl-CoA (CHEBI:29126) is a trans-3-enoyl-CoA (CHEBI:27700)
	trans-dec-3-enoyl-CoA (CHEBI:29126) is a medium-chain fatty acyl-CoA (CHEBI:61907)
	trans-dec-3-enoyl-CoA (CHEBI:29126) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
	trans-dec-3-enoyl-CoA (CHEBI:29126) is conjugate acid of trans-dec-3-enoyl-CoA(4−) (CHEBI:84793)
Incoming Relation(s)
Incoming Relation(s)	trans-dec-3-enoyl-CoA(4−) (CHEBI:84793) is conjugate base of trans-dec-3-enoyl-CoA (CHEBI:29126)

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

Synonyms	Source
3-trans-decenoyl-CoA	ChEBI
3-trans-decenoyl-coenzyme A	ChEBI
trans-dec-3-enoyl-coenzyme A	ChEBI
trans-3-decenoyl-CoA	ChEBI
trans-3-decenoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
HMDB0002137	HMDB

Registry Numbers	Sources
Reaxys:11165738	Reaxys