Search MNXref
 Feedback

(11Z,14Z,17Z)-3-oxoeicosatrienoyl-CoA

PropertiesImage
MNX_IDMNXM97402 Image of MNXM97402
referencechebi:74054
formulaC41H62N7O18P3S
global charge-4
mol weight1065.967
InChIKeyDFYFQQXXTCLFNG-UBQHHBPXSA-J
InChIInChI=1S/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h5-6,8-9,11-12,27-28,30,34-36,40,52-53H,4,7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b6-5-,9-8-,12-11-/t30-,34-,35-,36+,40-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)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/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h5-6,8-9,11-12,27-28,30,34-36,40,52-53H,4,7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b6-5-,9-8-,12-11-/t30-,34-,35-,36+,40-/m1/s1 Image of MNXM97402
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:29]([CH2:24][C:32](=[O:51])[S:70][CH2:23][CH2:22][N:43]=[C:31]([CH2:20][CH2:21][N:44]=[C:39]([C@@H:36]([C:41]([CH3:2])([CH3:3])[CH2:26][O:63][P:69]([OH:60])(=[O:61])[O:66][P:68]([OH:58])(=[O:59])[O:62][CH2:25][C@@H:30]1[C@@H:35]([O:65][P:67]([OH:55])([OH:56])=[O:57])[C@@H:34]([OH:52])[C@H:40]([N:48]2[CH:28]=[N:47][C:33]3=[C:37]([NH2:42])[N:45]=[CH:27][N:46]=[C:38]32)[O:64]1)[OH:53])[OH:54])[OH:50])=[O:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74054
chebi:74054
DFYFQQXXTCLFNG-UBQHHBPXSA-J 		(11Z,14Z,17Z)-3-oxoeicosatrienoyl-CoA
(11Z,14Z,17Z)-3-oxoeicosatrienoyl-CoA(4-)
(11Z,14Z,17Z)-3-oxoeicosatrienoyl-conezyme A(4-)
(11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA(4-)
(11Z,14Z,17Z)-3-oxoicosatrienoyl-conezyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z,14Z,17Z)-3-oxoicosa-11,14,17-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
3-keto-(11Z,14Z,17Z)-eicosatrienoyl-CoA(4-)
3-keto-(11Z,14Z,17Z)-icosatrienoyl-CoA(4-)
3-keto-(11cis,14cis,17cis)-icosatrienoyl-CoA(4-)
3-oxo-(11Z,14Z,17Z)-eicosatrienoyl-CoA(4-)
3-oxo-(11Z,14Z,17Z)-icosatrienoyl-coenzyme A(4-)
3-oxo-C20:3(n-3)-CoA(4-)

sabiork.compound:32335
sabiorkM:32335
DFYFQQXXTCLFNG-UBQHHBPXSA-N 		(11Z,14Z,17Z)-3-Oxoicosatrienoyl-CoA

CHEBI:74114
chebi:74114
DFYFQQXXTCLFNG-UBQHHBPXSA-N 		(11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA
(11Z,14Z,17Z)-3-ketoeicosatrienoyl-CoA
(11Z,14Z,17Z)-3-ketoeicosatrienoyl-coenzyme A
(11Z,14Z,17Z)-3-ketoicosatrienoyl-CoA
(11Z,14Z,17Z)-3-ketoicosatrienoyl-coenzyme A
(11Z,14Z,17Z)-3-oxoeicosatrienoyl-CoA
(11Z,14Z,17Z)-3-oxoeicosatrienoyl-coenzyme A
(11Z,14Z,17Z)-3-oxoicosatrienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z,14Z,17Z)-3-oxoicosa-11,14,17-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

lipidmaps:LMFA07050095
lipidmapsM:LMFA07050095
DFYFQQXXTCLFNG-UBQHHBPXSA-N 		(11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA
(11Z,14Z,17Z)-3-ketoeicosatrienoyl-CoA
(11Z,14Z,17Z)-3-ketoeicosatrienoyl-coenzyme A
(11Z,14Z,17Z)-3-ketoicosatrienoyl-CoA
(11Z,14Z,17Z)-3-ketoicosatrienoyl-coenzyme A
(11Z,14Z,17Z)-3-oxoeicosatrienoyl-CoA
(11Z,14Z,17Z)-3-oxoeicosatrienoyl-coenzyme A
(11Z,14Z,17Z)-3-oxoicosatrienoyl-coenzyme A
3-oxo-11Z,14Z,17Z-eicosatrienoyl-CoA
CoA 20:4
O

metacyc.compound:CPD-14422
metacycM:CPD-14422
DFYFQQXXTCLFNG-UBQHHBPXSA-J 		(11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA
(11Z,14Z,17Z)-3-oxoeicosatrienoyl-CoA
(11Z,14Z,17Z)-3-oxoicosa-11,14,17-trienoyl-CoA

SLM:000000738
slm:000000738
DFYFQQXXTCLFNG-UBQHHBPXSA-J 		3-oxo-(11Z,14Z,17Z)-eicosatrienoyl-CoA
hmdb:HMDB0304150
DFYFQQXXTCLFNG-UBQHHBPXSA-J 		3-oxo-eicosatrienoyl-CoA
(11Z,14Z,17Z)-3-Oxoeicosatrienoyl-CoA
(11Z,14Z,17Z)-3-Oxoeicosatrienoyl-CoA(4-)
(11Z,14Z,17Z)-3-Oxoeicosatrienoyl-conezyme a(4-)
(11Z,14Z,17Z)-3-Oxoicosatrienoyl-conezyme a(4-)
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(11Z,14Z,17Z)-3-oxoicosa-11,14,17-trienoyl]sulfanyl}ethyl)carboximidato]ethyl}butanecarboximidate
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(11Z,14Z,17Z)-3-oxoicosa-11,14,17-trienoyl]sulfanyl}ethyl)carboximidato]ethyl}butanecarboximidate
3-Keto-(11Z,14Z,17Z)-eicosatrienoyl-CoA(4-)
3-Keto-(11Z,14Z,17Z)-icosatrienoyl-CoA(4-)
3-Keto-(11cis,14cis,17cis)-icosatrienoyl-CoA(4-)
3-oxo-(11Z,14Z,17Z)-Eicosatrienoyl-CoA(4-)
3-oxo-(11Z,14Z,17Z)-Icosatrienoyl-coenzyme A(4-)
3-oxo-C20:3(N-3)-CoA(4-)

seed.compound:cpd30766
seedM:cpd30766
DFYFQQXXTCLFNG-UBQHHBPXSA-J 		3-oxo-eicosatrienoyl-CoA
(11Z,14Z,17Z)-3-oxoeicosatrienoyl-CoA
(11Z,14Z,17Z)-3-oxoicosa-11,14,17-trienoyl-CoA
(11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA

seedM:M_cpd30766 		secondary/obsolete/fantasy identifier