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tetracosanoyl-CoA

PropertiesImage
MNX_IDMNXM1104012 Image of MNXM1104012
referencechebi:65052
formulaC45H78N7O17P3S
global charge-4
mol weight1114.14
InChIKeyMOYMQYZWIUKGGY-JBKAVQFISA-J
InChIInChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/t34-,38-,39-,40+,44-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38-,39-,40+,44-/m1/s1 Image of MNXM1104012
SMILES (mnx)[C@@H:1]1([CH:38]2[c:39]3[c:41]([c:44]([NH2:47])[n:46][cH:45][cH:42]3)[CH:43]=[CH:40]2)[CH2:2][C@H:4]([CH2:32][CH2:25][C:31]([CH2:24][C:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][NH:48][N:50](=[NH:49])[NH:51][NH:52][O:53][O:54][O:55][O:56][O:57][O:58][O:59][O:60][O:66][O:67][O:68][O:69][O:61][O:62][O:63][O:64][O:65][PH:70][PH:71][PH:72][SH:73])=[CH2:11])=[CH2:15])[CH3:22])(=[CH2:26])[CH3:27])(=[CH2:28])[CH3:29])[C@@H:5]([CH2:33][C:36]([CH3:34])([CH3:35])=[CH2:37])[CH:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)46
in models (compartimentalized) 42
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-390246
reactomeM:R-ALL-390246
reactome:R-ALL-548808
reactomeM:R-ALL-548808
CHEBI:65052
chebi:65052
MOYMQYZWIUKGGY-JBKAVQFISA-J 		tetracosanoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(tetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] diphosphate}
C24:0-CoA(4-)
C24:0-coenzyme A(4-)
lignoceroyl-CoA(4-)
tetracosanoyl-CoA (4-)
tetracosanoyl-CoA(4-)
tetracosanoyl-coenzyme A(4-)

bigg.metabolite:lgnccoa
biggM:lgnccoa
MOYMQYZWIUKGGY-JBKAVQFISA-J 		Lignocericyl coenzyme A
hmdb:HMDB0060239
MOYMQYZWIUKGGY-JBKAVQFISA-N 		Lignocericyl coenzyme A
(2R)-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-3,3-dimethyl-N-(2-{[2-(tetracosanoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-(2-{[2-(tetracosanoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid
C24:0-CoA
C24:0-coenzyme A
Lignoceroyl-CoA
Lignoceroyl-coenzyme A
Tetracosanoyl-coenzyme A

sabiork.compound:20028
sabiorkM:20028
MOYMQYZWIUKGGY-JBKAVQFISA-N 		Lignoceroyl-CoA

lipidmaps:LMFA07050372
lipidmapsM:LMFA07050372
MOYMQYZWIUKGGY-JBKAVQFISA-N 		Lignoceroyl-CoA
C24:0-CoA
C24:0-coenzyme A
CoA 24:0
Lignoceroyl-coa
Lignoceroyl-coenzyme A
Tetracosanoyl-CoA
tetracosanoyl-coenzyme A

seed.compound:cpd15297
seedM:cpd15297
MOYMQYZWIUKGGY-JBKAVQFISA-J 		Lignoceroyl-CoA
Tetracosanoyl-CoA
lignoceroyl-CoA
tetracosanoyl-CoA
ttccoa

bigg.metabolite:ttccoa
biggM:ttccoa
MOYMQYZWIUKGGY-JBKAVQFISA-J 		Tetracosanoyl CoA n C240CoA

kegg.compound:C16529
keggC:C16529
MOYMQYZWIUKGGY-JBKAVQFISA-N 		Tetracosanoyl-CoA
Lignoceroyl-CoA
hmdb:HMDB0006526
MOYMQYZWIUKGGY-JBKAVQFISA-J 		Tetracosanoyl-CoA
Lignoceroyl-CoA
Lignoceroyl-coenzyme A
S-Tetracosanoate
S-Tetracosanoate CoA
S-Tetracosanoate coenzyme A
S-Tetracosanoic acid
Tetracosanoyl-coenzyme A
[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetracosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxyphosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
{[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetracosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

vmhM:lgnccoa
vmhM:lgnccoa
vmhmetabolite:lgnccoa
vmhmetabolite:lgnccoa 		lignocericyl coenzyme A
{[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetracosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl

metacyc.compound:CPD-10280
metacycM:CPD-10280
MOYMQYZWIUKGGY-JBKAVQFISA-J 		lignoceroyl-CoA
tetracosanoyl-CoA

SLM:000000416
slm:000000416
MOYMQYZWIUKGGY-JBKAVQFISA-J 		tetracosanoyl-CoA

vmhM:ttccoa
vmhM:ttccoa
vmhmetabolite:ttccoa
vmhmetabolite:ttccoa
MOYMQYZWIUKGGY-JBKAVQFISA-J 		tetracosanoyl-CoA (n-C24:0CoA)
{[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetracosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl

CHEBI:52974
chebi:52974
MOYMQYZWIUKGGY-JBKAVQFISA-N 		tetracosanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(tetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
C24:0-CoA
C24:0-coenzyme A
Lignoceroyl-CoA
Lignoceroyl-coa
Lignoceroyl-coenzyme A
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] tetracosanethioate
Tetracosanoyl-CoA
tetracosanoyl-coenzyme A

vmhM:CE2257
vmhM:CE2257
vmhmetabolite:CE2257
vmhmetabolite:CE2257
MOYMQYZWIUKGGY-JBKAVQFISA-J 		tetracosanoyl-CoA
{[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetracosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl

hmdb:HMDB06526
hmdb:HMDB60239
biggM:M_lgnccoa
biggM:M_ttccoa
keggC:M_C16529
seedM:M_cpd15297
vmhM:M_CE2257
vmhM:M_lgnccoa
vmhM:M_ttccoa 		secondary/obsolete/fantasy identifier