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(3S,8Z,11Z,14Z,17Z)-3-Hydroxyicosatetraenoyl-CoA

MNXM7114 is deprecated and here replaced by MNXM1372026
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372026 Image of MNXM1372026
referencechebi:193744
formulaC41H66N7O18P3S
global charge0
mol weight1069.999
InChIKeyPCGPHLMAAZKQFQ-LXHLOETDSA-N
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/h5-6,8-9,11-12,14-15,27-30,34-36,40,49,52-53H,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)/b6-5-,9-8-,12-11-,15-14-/t29-,30+,34+,35+,36-,40+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[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/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/h5-6,8-9,11-12,14-15,27-30,34-36,40,49,52-53H,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)/b6-5-,9-8-,12-11-,15-14-/t29-,30+,34+,35+,36-,40+/m0/s1 Image of MNXM1372026
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH: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@@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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:193744
chebi:193744
PCGPHLMAAZKQFQ-LXHLOETDSA-N 		(3S,8Z,11Z,14Z,17Z)-3-Hydroxyicosatetraenoyl-CoA
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S,8Z,11Z,14Z,17Z)-3-hydroxyicosa-8,11,14,17-tetraenethioate
hmdb:HMDB0062202
PCGPHLMAAZKQFQ-LXHLOETDSA-N 		(3S,8Z,11Z,14Z,17Z)-3-Hydroxyicosatetraenoyl-CoA
(3S,8Z,11Z,14Z,17Z)-3-Hydroxyeicosatetra-8,11,14,17-enoyl-CoA
(3S,8Z,11Z,14Z,17Z)-3-Hydroxyeicosatetra-8,11,14,17-enoyl-coenzyme A
(3S,8Z,11Z,14Z,17Z)-3-Hydroxyeicosatetraenoyl-CoA
(3S,8Z,11Z,14Z,17Z)-3-Hydroxyeicosatetraenoyl-coenzyme A
(3S,8Z,11Z,14Z,17Z)-3-Hydroxyicosatetra-8,11,14,17-enoyl-CoA
(3S,8Z,11Z,14Z,17Z)-3-Hydroxyicosatetra-8,11,14,17-enoyl-coenzyme A
(3S,8Z,11Z,14Z,17Z)-3-Hydroxyicosatetraenoyl-coenzyme A
3(S)-Hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-CoA
3(S)-Hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-coenzyme A
3(S)-Hydroxy-all-cis-8,11,14,17-icosatetraenoyl-CoA
3(S)-Hydroxy-all-cis-8,11,14,17-icosatetraenoyl-coenzyme A
3S-Hydroxyeicosatetra-8Z,11Z,14Z,17Z-enoyl-CoA
3S-Hydroxyeicosatetra-8Z,11Z,14Z,17Z-enoyl-coenzyme A
3S-Hydroxyicosatetra-8Z,11Z,14Z,17Z-enoyl-CoA
3S-Hydroxyicosatetra-8Z,11Z,14Z,17Z-enoyl-coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy((3R)-3-hydroxy-3-({2-[(2-{[(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosa-8,11,14,17-tetraenoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S,8Z,11Z,14Z,17Z)-3-hydroxyicosa-8,11,14,17-tetraenoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

hmdb:HMDB62202 		secondary/obsolete/fantasy identifier