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(2E,4E)-tetradecadienoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM147629

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₅H₅₄N₇O₁₇P₃S

charge

-4

mass

969.25317

reference

chebi:87712

InChIKey

ULOGSHZMDLRQRY-INBGBNCRSA-J

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/h12-15,22-24,28-30,34,45-46H,4-11,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b13-12+,15-14+/t24-,28-,29-,30+,34-/m1/s1

SMILES

CCCCCCCCC/C=C/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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87712 chebi:87712	(2E,4E)-tetradecadienoyl-CoA (2E,4E)-tetradecadienoyl-CoA(4-) (2E,4E)-tetradecadienoyl-coenzyme A(4-) trans,trans-2,4-tetradecadienoyl-CoA(4-) trans,trans-2,4-tetradecadienoyl-coenzyme A(4-)
metacyc.compound:CPD-15566 metacycM:CPD-15566 seed.compound:cpd35495 seedM:cpd35495	(2E,4E)-tetradeca-2,4-dienoyl-CoA 2-trans,4-trans-tetradecadienoyl-CoA
CHEBI:88084 chebi:88084	(2E,4E)-tetradecadienoyl-CoA (2E,4E)-tetradecadienoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E,4E)-tetradeca-2,4-dienoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} trans,trans-2,4-tetradecadienoyl-CoA trans,trans-2,4-tetradecadienoyl-coenzyme A
seedM:M_cpd35495	secondary/obsolete/fantasy identifier