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(2E,5Z)-octadienoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM730529

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₉H₄₂N₇O₁₇P₃S

charge

-4

mass

885.15927

reference

chebi:131990

InChIKey

UAKGSVLISZWLCH-SCNZGMGCSA-J

InChI

InChI=1S/C29H46N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h5-6,8-9,16-18,22-24,28,39-40H,4,7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b6-5-,9-8+/t18-,22-,23-,24+,28-/m1/s1

SMILES

CC/C=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:131990 chebi:131990	(2E,5Z)-octadienoyl-CoA (2E,5Z)-octadienoyl-CoA(4-) (2E,5Z)-octadienoyl-coenzyme A(4-) trans-2-cis-5-octadienoyl-CoA(4-)
sabiork.compound:23774 sabiorkM:23774	(2E,5Z)-Octadienoyl-CoA
CHEBI:132271 chebi:132271	(2E,5Z)-octadienoyl-CoA (2E,5Z)-octadienoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(2E,5Z)-octa-2,5-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}