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(3E,5Z)-tetradecadienoyl-CoA

MNXM9966 is deprecated and here replaced by MNXM741820
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741820 Image of MNXM741820
referencechebi:71586
formulaC35H54N7O17P3S
global charge-4
mol weight969.838
InChIKeyQADUDNMSWUFMGZ-ROGIYNEGSA-J
InChIInChI=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
SMILESCCCCCCCC/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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM741820
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH:13]=[CH:14]\[CH2:15][C:26](=[O:44])[S:63][CH2:19][CH2:18][N:37]=[C:25]([CH2:16][CH2:17][N:38]=[C:33]([C@@H:30]([C:35]([CH3:2])([CH3:3])[CH2:21][O:56][P:62]([OH:53])(=[O:54])[O:59][P:61]([OH:51])(=[O:52])[O:55][CH2:20][C@@H:24]1[C@@H:29]([O:58][P:60]([OH:48])([OH:49])=[O:50])[C@@H:28]([OH:45])[C@H:34]([N:42]2[CH:23]=[N:41][C:27]3=[C:31]([NH2:36])[N:39]=[CH:22][N:40]=[C:32]32)[O:57]1)[OH:46])[OH:47])[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71586
chebi:71586
QADUDNMSWUFMGZ-ROGIYNEGSA-J 		(3E,5Z)-tetradecadienoyl-CoA
(3E,5Z)-tetradeca-3,5-dienoyl-CoA(4-)
(3E,5Z)-tetradeca-3,5-dienoyl-coenzyme A(4-)
(3E,5Z)-tetradecadienoyl-CoA(4-)
(3E,5Z)-tetradecadienoyl-coenzyme A(4-)
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}
3-trans,5-cis-tetradecadienoyl-CoA(4-)
3-trans,5-cis-tetradecadienoyl-coenzyme A(4-)
megatomoyl-CoA(4-)
megatomoyl-coenzyme A(4-)

sabiork.compound:23761
sabiorkM:23761
QADUDNMSWUFMGZ-ROGIYNEGSA-J 		(3E,5Z)-Tetradecadienoyl-CoA
Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(3E,5Z)-1-oxo-3,5-tetradecadien-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydro gen phosphate), ion(4-)

metacyc.compound:CPD0-1158
metacycM:CPD0-1158
QADUDNMSWUFMGZ-ROGIYNEGSA-J 		(3E,5Z)-tetradeca-3,5-dienoyl-CoA
3-trans,5-cis-tetradecadienoyl-CoA

SLM:000501419
slm:000501419
QADUDNMSWUFMGZ-ROGIYNEGSA-J 		(3E,5Z)-tetradecadienoyl-CoA

lipidmaps:LMFA07050113
lipidmapsM:LMFA07050113
QADUDNMSWUFMGZ-ROGIYNEGSA-N 		(3E,5Z)-tetradecadienoyl-CoA
(3E,5Z)-tetradeca-3,5-dienoyl-CoA
(3E,5Z)-tetradeca-3,5-dienoyl-coenzyme A
(3E,5Z)-tetradecadienoyl-coenzyme A
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}
3-trans,5-cis-tetradecadienoyl-CoA
3-trans,5-cis-tetradecadienoyl-coenzyme A
CoA 14:2
megatomoyl-CoA
megatomoyl-coenzyme A

CHEBI:72001
chebi:72001
QADUDNMSWUFMGZ-ROGIYNEGSA-N 		(3E,5Z)-tetradecadienoyl-CoA
(3E,5Z)-tetradeca-3,5-dienoyl-CoA
(3E,5Z)-tetradeca-3,5-dienoyl-coenzyme A
(3E,5Z)-tetradecadienoyl-coenzyme A
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}
3-trans,5-cis-tetradecadienoyl-CoA
3-trans,5-cis-tetradecadienoyl-coenzyme A
megatomoyl-CoA
megatomoyl-coenzyme A

seed.compound:cpd25999
seedM:cpd25999
QADUDNMSWUFMGZ-ROGIYNEGSA-J 		3,5-tetradecadienoyl-CoA
(3E,5Z)-tetradeca-3,5-dienoyl-CoA
3-trans,5-cis-tetradecadienoyl-CoA

seedM:M_cpd25999 		secondary/obsolete/fantasy identifier