(3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001)

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CHEBI:72001 - (3E,5Z)-tetradecadienoyl-CoA

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ChEBI ID	CHEBI:72001
ChEBI Name	(3E,5Z)-tetradecadienoyl-CoA
Stars
ASCII Name	(3E,5Z)-tetradecadienoyl-CoA
Definition	An unsaturated fatty acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3E,5Z)-tetradecadienoic acid.
Last Modified	31 March 2015
Submitter	Steve
Downloads	Molfile

Formula	C35H58N7O17P3S
Net Charge	0
Average Mass	973.870
Monoisotopic Mass	973.28227
SMILES	CCCCCCCC/C=C\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/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-14,22-24,28-30,34,45-46H,4-10,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11-,14-13+/t24-,28-,29-,30+,34-/m1/s1
InChIKey	QADUDNMSWUFMGZ-ROGIYNEGSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001) has functional parent (3E,5Z)-tetradecadienoic acid (CHEBI:72000)
	(3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
	(3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001) is a long-chain fatty acyl-CoA (CHEBI:33184)
	(3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001) is a unsaturated fatty acyl-CoA (CHEBI:51006)
	(3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001) is conjugate acid of (3E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:71586)
Incoming Relation(s)
Incoming Relation(s)	(3E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:71586) is conjugate base of (3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3E,5Z)-tetradeca-3,5-dienoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}

Synonyms	Source
(3E,5Z)-tetradeca-3,5-dienoyl-coenzyme A	ChEBI
megatomoyl-coenzyme A	ChEBI
3-trans,5-cis-tetradecadienoyl-coenzyme A	ChEBI
3-trans,5-cis-tetradecadienoyl-CoA	ChEBI
(3E,5Z)-tetradeca-3,5-dienoyl-CoA	ChEBI
megatomoyl-CoA	ChEBI

Manual Xrefs	Databases
CPD0-1158	MetaCyc