(3E,5Z)-tetradecadienoyl-CoA(4-) (CHEBI:71586)

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CHEBI:71586 - (3E,5Z)-tetradecadienoyl-CoA(4−)

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ChEBI ID	CHEBI:71586
ChEBI Name	(3E,5Z)-tetradecadienoyl-CoA(4−)
Stars
ASCII Name	(3E,5Z)-tetradecadienoyl-CoA(4-)
Definition	An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (3E,5Z)-tetradecadienoyl-CoA.
Last Modified	28 July 2021
Submitter	Anne Morgat
Downloads	Molfile

Formula	C35H54N7O17P3S
Net Charge	-4
Average Mass	969.838
Monoisotopic Mass	969.25317
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)/p-4/b12-11-,14-13+/t24-,28-,29-,30+,34-/m1/s1
InChIKey	QADUDNMSWUFMGZ-ROGIYNEGSA-J

ChEBI Ontology

Outgoing Relation(s)
	(3E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:71586) is a (3E,5Z)-dienoyl-CoA(4−) (CHEBI:85110)
	(3E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:71586) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
	(3E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:71586) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
	(3E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:71586) is conjugate base of (3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001)
Incoming Relation(s)
Incoming Relation(s)	(3E,5Z)-tetradecadienoyl-CoA (CHEBI:72001) is conjugate acid of (3E,5Z)-tetradecadienoyl-CoA(4−) (CHEBI:71586)

IUPAC Name
3'-phosphonatoadenosine 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] diphosphate}

Synonyms	Source
3-trans,5-cis-tetradecadienoyl-CoA(4−)	ChEBI
megatomoyl-coenzyme A(4−)	ChEBI
(3E,5Z)-tetradeca-3,5-dienoyl-coenzyme A(4−)	ChEBI
megatomoyl-CoA(4−)	ChEBI
3-trans,5-cis-tetradecadienoyl-coenzyme A(4−)	ChEBI
(3E,5Z)-tetradeca-3,5-dienoyl-CoA(4−)	ChEBI

UniProt Name	Source
(3E,5Z)-tetradecadienoyl-CoA	UniProt

Manual Xrefs	Databases
CPD0-1158	MetaCyc