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(3R)-hydroxy-(11Z,14Z)-eicosadienoyl-CoA

PropertiesImage
MNX_IDMNXM145826 Image of MNXM145826
referencechebi:76408
formulaC41H66N7O18P3S
global charge-4
mol weight1069.999
InChIKeyMNTSLNSVZACNCX-JPDDAYGWSA-J
InChIInChI=1S/C41H70N7O18P3S/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/h8-9,11-12,27-30,34-36,40,49,52-53H,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/b9-8-,12-11-/t29-,30-,34-,35-,36+,40-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCC[C@@H](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/C41H70N7O18P3S/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/h8-9,11-12,27-30,34-36,40,49,52-53H,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)/b9-8-,12-11-/t29-,30-,34-,35-,36+,40-/m1/s1 Image of MNXM145826
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][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@H: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])[OH:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76408
chebi:76408
MNTSLNSVZACNCX-JPDDAYGWSA-J 		(3R)-hydroxy-(11Z,14Z)-eicosadienoyl-CoA
(3R,11Z,14Z)-3-hydroxyeicosadienoyl-CoA(4-)
(3R,11Z,14Z)-3-hydroxyeicosadienoyl-coenzyme A(4-)
(3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA(4-)
(3R,11Z,14Z)-3-hydroxyicosadienoyl-coenzyme A(4-)
(R)-3-OH-C20:2(omega-6)-CoA(4-)
(R)-3-hydroxy-(11Z,14Z)-icosadienoyl-CoA(4-)
(R)-3-hydroxy-(11Z,14Z)-icosadienoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,11Z,14Z)-3-hydroxyicosa-11,14-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
D-3-OH-C20:2(omega-6)-CoA(4-)

SLM:000389608
slm:000389608
MNTSLNSVZACNCX-JPDDAYGWSA-J 		(3R)-hydroxy-(11Z,14Z)-eicosadienoyl-CoA

seed.compound:cpd34639
seedM:cpd34639
MNTSLNSVZACNCX-JPDDAYGWSA-J 		(3R)-hydroxy-20:2delta11,14
(3R,11Z,14Z)-3-hydroxyicosa-11,14-dienoyl-CoA
(3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA

metacyc.compound:CPD-17347
metacycM:CPD-17347
MNTSLNSVZACNCX-JPDDAYGWSA-J 		(3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA
(3R)-hydroxy-20:2Delta11,14
(3R,11Z,14Z)-3-hydroxyicosa-11,14-dienoyl-CoA

CHEBI:76524
chebi:76524
MNTSLNSVZACNCX-JPDDAYGWSA-N 		(3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA
(3R,11Z,14Z)-3-hydroxyeicosadienoyl-CoA
(3R,11Z,14Z)-3-hydroxyeicosadienoyl-coenzyme A
(3R,11Z,14Z)-3-hydroxyicosadienoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,11Z,14Z)-3-hydroxyicosa-11,14-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

vmhM:CE4840
vmhmetabolite:CE4840
MNTSLNSVZACNCX-JPDDAYGWSA-J 		(3S)-hydroxy-eicosa-cis,cis-11,14-dienoyl-CoA

seedM:M_cpd34639
vmhM:M_CE4840 		secondary/obsolete/fantasy identifier