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(5Z,8Z,11Z,14Z)-eicosatetraenoyl-CoA

PropertiesImage
MNX_IDMNXM1104493 Image of MNXM1104493
referencechebi:57368
formulaC41H62N7O17P3S
global charge-4
mol weight1049.968
InChIKeyJDEPVTUUCBFJIW-YQVDHACTSA-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/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1 Image of MNXM1104493
SMILES (mnx)[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]/[CH:17]=[CH: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)112
in models (compartimentalized) 77
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2046053
reactomeM:R-ALL-2046053
reactome:R-ALL-548819
reactomeM:R-ALL-548819
CHEBI:57368
chebi:57368
JDEPVTUUCBFJIW-YQVDHACTSA-J 		(5Z,8Z,11Z,14Z)-eicosatetraenoyl-CoA
(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
C20:4-CoA(4-)
S-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]-coenzyme A(4-)
arachidonoyl-CoA(4-)
arachidonoyl-coenzyme A(4-)
arachidonyl-coenzyme A(4-)
cis-Delta(5,8,11,14)-eicosatetraenoyl-CoA(4-)
cis-Delta(5,8,11,14)-eicosatetraenoyl-coenzyme A(4-)

SLM:000000728
slm:000000728
JDEPVTUUCBFJIW-YQVDHACTSA-J 		(5Z,8Z,11Z,14Z)-eicosatetraenoyl-CoA

bigg.metabolite:eitetcoa
biggM:eitetcoa
JDEPVTUUCBFJIW-YQVDHACTSA-J 		5,8,11,14-Eicosatetraenoyl Coenzyme A

vmhM:eitetcoa
vmhmetabolite:eitetcoa
JDEPVTUUCBFJIW-YQVDHACTSA-J 		5,8,11,14-eicosatetraenoylcoa

lipidmaps:LMFA07050288
lipidmapsM:LMFA07050288
JDEPVTUUCBFJIW-YQVDHACTSA-N 		Arachidonyl-CoA
(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-CoA
(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-coenzyme A
(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyl-coenzyme A
5Z,8Z,11Z,14Z-eicosatetraenoyl-CoA
C20:4-CoA
CoA 20:4
all-cis-5,8,11,14-eicosatetraenoyl-CoA
all-cis-5,8,11,14-eicosatetraenoyl-coenzyme A
arachidonoyl-coenzyme A
arachidonyl-coenzyme A
cis-Delta(5,8,11,14)-eicosatetraenoyl-CoA
cis-Delta(5,8,11,14)-eicosatetraenoyl-coenzyme A

seed.compound:cpd01519
seedM:cpd01519
JDEPVTUUCBFJIW-YQVDHACTSA-J 		Arachidonyl-CoA
(5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA
(5Z,8Z,11Z,14Z)-icosatetraenoyl-CoA
Arachidonoyl-CoA
arachidonoyl-CoA
arachidonyl-CoA

sabiork.compound:2394
sabiorkM:2394
kegg.compound:C02249
keggC:C02249
JDEPVTUUCBFJIW-YQVDHACTSA-N 		Arachidonyl-CoA
(5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA
Arachidonoyl-CoA

bigg.metabolite:arachdcoa
biggM:arachdcoa
JDEPVTUUCBFJIW-YQVDHACTSA-J 		C20:4-CoA

vmhM:arachdcoa
vmhmetabolite:arachdcoa
JDEPVTUUCBFJIW-YQVDHACTSA-J 		arachidonoyl-CoA(4-)
{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2

CHEBI:15514
chebi:15514
JDEPVTUUCBFJIW-YQVDHACTSA-N 		arachidonoyl-CoA
(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-CoA
(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-coenzyme A
(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyl-coenzyme A
(5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Arachidonoyl-CoA
Arachidonyl-CoA
C20:4-CoA
all-cis-5,8,11,14-eicosatetraenoyl-CoA
all-cis-5,8,11,14-eicosatetraenoyl-coenzyme A
arachidonoyl-coenzyme A
arachidonyl-coenzyme A
cis-Delta(5,8,11,14)-eicosatetraenoyl-CoA
cis-Delta(5,8,11,14)-eicosatetraenoyl-coenzyme A

metacyc.compound:ARACHIDONYL-COA
metacycM:ARACHIDONYL-COA
JDEPVTUUCBFJIW-YQVDHACTSA-J 		arachidonoyl-CoA
(5Z,8Z,11Z,14Z)-icosatetraenoyl-CoA
arachidonyl-CoA

chebi:13853
chebi:13854
chebi:22611
chebi:22613
chebi:2800
biggM:M_arachdcoa
biggM:M_eitetcoa
keggC:M_C02249
seedM:M_cpd01519
vmhM:M_arachdcoa
vmhM:M_eitetcoa 		secondary/obsolete/fantasy identifier