(11Z)-eicosenoyl-CoA (CHEBI:74126)

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CHEBI:74126 - (11Z)-eicosenoyl-CoA

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ChEBI ID	CHEBI:74126
ChEBI Name	(11Z)-eicosenoyl-CoA
Stars
ASCII Name	(11Z)-eicosenoyl-CoA
Definition	A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-eicosenoic acid.
Last Modified	5 February 2018
Submitter	Steve
Downloads	Molfile

Formula	C41H72N7O17P3S
Net Charge	0
Average Mass	1060.048
Monoisotopic Mass	1059.39182
SMILES	CCCCCCCC/C=C\CCCCCCCCCC(=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/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-/t30-,34-,35-,36+,40-/m1/s1
InChIKey	ZDRKXADSROCWCG-FVLDFCIYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(11Z)-eicosenoyl-CoA (CHEBI:74126) is a long-chain fatty acyl-CoA (CHEBI:33184)
	(11Z)-eicosenoyl-CoA (CHEBI:74126) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
	(11Z)-eicosenoyl-CoA (CHEBI:74126) is a Δ¹¹-fatty acyl-CoA (CHEBI:52831)
	(11Z)-eicosenoyl-CoA (CHEBI:74126) is conjugate acid of (11Z)-eicosenoyl-CoA(4−) (CHEBI:74069)
Incoming Relation(s)
Incoming Relation(s)	(11Z)-eicosenoyl-CoA(4−) (CHEBI:74069) is conjugate base of (11Z)-eicosenoyl-CoA (CHEBI:74126)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-icos-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

Synonyms	Source
11cis-eicosenoyl-CoA	ChEBI
(11Z)-icosenoyl-coenzyme A	ChEBI
(11Z)-eicosenoyl-coenzyme A	ChEBI
(11Z)-icosenoyl-CoA	ChEBI
11cis-icosenoyl-CoA	ChEBI
11cis-icosenoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
C16530	KEGG COMPOUND
LMFA07050056	LIPID MAPS
CPD-15363	MetaCyc