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(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA

MNXM97511 is deprecated and here replaced by MNXM1104574
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104574 Image of MNXM1104574
referencechebi:74265
formulaC41H62N7O17P3S
global charge-4
mol weight1049.968
InChIKeyPLHICYKOPITJJT-QWOXCLFSSA-J
InChIInChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1 Image of MNXM1104574
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][CH2:20][CH2:21][C:32](=[O:50])[S:69][CH2:25][CH2:24][N:43]=[C:31]([CH2:22][CH2:23][N:44]=[C:39]([C@@H:36]([C:41]([CH3:2])([CH3:3])[CH2:27][O:62][P:68]([OH:59])(=[O:60])[O:65][P:67]([OH:57])(=[O:58])[O:61][CH2:26][C@@H:30]1[C@@H:35]([O:64][P:66]([OH:54])([OH:55])=[O:56])[C@@H:34]([OH:51])[C@H:40]([N:48]2[CH:29]=[N:47][C:33]3=[C:37]([NH2:42])[N:45]=[CH:28][N:46]=[C:38]32)[O:63]1)[OH:52])[OH:53])[OH:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)30
in models (compartimentalized) 19
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74265
chebi:74265
PLHICYKOPITJJT-QWOXCLFSSA-J 		(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA(4-)
(8Z,11Z,14Z,17Z)-eicosatetraenoyl-coenzyme A(4-)
(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA(4-)
(8Z,11Z,14Z,17Z)-icosatetraenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}

kegg.compound:C16164
keggC:C16164
PLHICYKOPITJJT-QWOXCLFSSA-N 		(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-Icosa-8,11,14,17-tetraenoyl-CoA

seed.compound:cpd14885
seedM:cpd14885
PLHICYKOPITJJT-QWOXCLFSSA-J 		(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl-CoA
(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA

SLM:000000778
slm:000000778
PLHICYKOPITJJT-QWOXCLFSSA-J 		(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA

metacyc.compound:CPD-14394
metacycM:CPD-14394
PLHICYKOPITJJT-QWOXCLFSSA-J 		(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl-CoA

lipidmaps:LMFA07050134
lipidmapsM:LMFA07050134
PLHICYKOPITJJT-QWOXCLFSSA-N 		(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA
20:4(n-3)
8Z,11Z,14Z,17Z-eicosatetraenoyl-CoA
CoA 20:4
CoA(20:4(8Z,11Z,14Z,17Z))
all-cis-8,11,14,17-eicosatetraenoyl-CoA
all-cis-8,11,14,17-icosatetraenoyl-CoA

reactome:R-ALL-2046051
reactomeM:R-ALL-2046051
CHEBI:63542
chebi:63542
PLHICYKOPITJJT-QWOXCLFSSA-N 		(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA
(8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA
20:4(n-3)
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate}
8Z,11Z,14Z,17Z-eicosatetraenoyl-CoA
CoA(20:4(8Z,11Z,14Z,17Z))
all-cis-8,11,14,17-eicosatetraenoyl-CoA
all-cis-8,11,14,17-icosatetraenoyl-CoA

bigg.metabolite:eicostetcoa
biggM:eicostetcoa
PLHICYKOPITJJT-QWOXCLFSSA-J 		Eicosatetranoyl coenzyme A

vmhM:eicostetcoa
vmhmetabolite:eicostetcoa
PLHICYKOPITJJT-QWOXCLFSSA-J 		eicosatetranoyl coenzyme A
(2S)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-[2-({2-[(8Z,11Z,14Z,17

biggM:M_eicostetcoa
keggC:M_C16164
seedM:M_cpd14885
vmhM:M_eicostetcoa 		secondary/obsolete/fantasy identifier