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(8Z,11Z,14Z)-3-oxoeicosatrienoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM97136Image of MNXM97136
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
formulaC41H62N7O18P3S
charge-4
mass1065.957
referencechebi:71481
InChIKeyDJFXNRBQUUFIOS-DDQUOPDJSA-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/h8-9,11-12,14-15,27-28,30,34-36,40,52-53H,4-7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1
SMILES[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH: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]
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:71481
chebi:71481 		(8Z,11Z,14Z)-3-oxoeicosatrienoyl-CoA
(8Z,11Z,14Z)-3-oxoeicosa-8,11,14-trienoyl-CoA(4-)
(8Z,11Z,14Z)-3-oxoeicosa-8,11,14-trienoyl-coenzyme A(4-)
(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA(4-)
(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
CHEBI:71539
chebi:71539 		(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA
(8Z,11Z,14Z)-3-oxoeicosa-8,11,14-trienoyl-CoA
(8Z,11Z,14Z)-3-oxoeicosa-8,11,14-trienoyl-coenzyme A
(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050132
lipidmapsM:LMFA07050132 		(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA
(8Z,11Z,14Z)-3-oxoeicosa-8,11,14-trienoyl-CoA
(8Z,11Z,14Z)-3-oxoeicosa-8,11,14-trienoyl-coenzyme A
(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 20:4
O
SLM:000000490
slm:000000490 		3-oxo-(8Z,11Z,14Z)-eicosatrienoyl-CoA
seed.compound:cpd28749
seedM:cpd28749 		3-oxo-dihomo gamma-linolenoyl-CoA
(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA
(8Z,11Z,14Z)-3-oxoicosatrienoyl-CoA
3-oxodihomo gamma-linolenoyl-CoA
[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-(2-octadeca-6,9,12- trienoylsulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid
metacyc.compound:CPD-14404
metacycM:CPD-14404 		3-oxodihomo gamma-linolenoyl-CoA
(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA
(8Z,11Z,14Z)-3-oxoicosatrienoyl-CoA
seedM:M_cpd28749 secondary/obsolete/fantasy identifier