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(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1102116 Image of MNXM1102116 Image of MNXM1102116
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
formulaC45H68N7O18P3S
charge-4
mass1120.049
referencechebi:73857
InChIKeyWSALICWLARPULC-GJYKHRJNSA-J
InChIInChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4-7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1
SMILES[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][CH2:22][CH2:23][C:33]([CH2:28][C:36](=[O:55])[S:74][CH2:27][CH2:26][N:47]=[C:35]([CH2:24][CH2:25][N:48]=[C:43]([C@@H:40]([C:45]([CH3:2])([CH3:3])[CH2:30][O:67][P:73]([OH:64])(=[O:65])[O:70][P:72]([OH:62])(=[O:63])[O:66][CH2:29][C@@H:34]1[C@@H:39]([O:69][P:71]([OH:59])([OH:60])=[O:61])[C@@H:38]([OH:56])[C@H:44]([n:52]2[cH:32][n:51][c:37]3[c:41]([NH2:46])[n:49][cH:31][n:50][c:42]32)[O:68]1)[OH:57])[OH:58])[OH:54])=[O:53]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:73857
chebi:73857 		(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA
(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4-)
(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-3-oxotetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd34767
seedM:cpd34767 		(9Z,12Z,15Z,18Z)-3-oxotetracosa-9,12,15,18-tetraenoyl-CoA
(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA
metacyc.compound:CPD-17329
metacycM:CPD-17329 		(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA
(9Z,12Z,15Z,18Z)-3-oxotetracosa-9,12,15,18-tetraenoyl-CoA
lipidmaps:LMFA07050138
lipidmapsM:LMFA07050138 		(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA
(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-3-oxotetracosa-7,10,13,16,19-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 24:5
O
CHEBI:73874
chebi:73874 		(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA
(9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-3-oxotetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
hmdb:HMDB0060229 3-Oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA
(2R)-4-({[({[(2S,3S,4R,5S)-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-{[(9Z,12Z,15Z,18Z)-3-oxotetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid
(2R)-4-[({[(2S,3S,4R,5S)-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-{[(9Z,12Z,15Z,18Z)-3-oxotetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid
SLM:000000731
slm:000000731 		3-oxo-(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA
bigg.metabolite:CE4834
biggM:CE4834
vmhM:CE4834
vmhM:CE4834
vmhmetabolite:CE4834
vmhmetabolite:CE4834 		3-oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA
hmdb:HMDB60229
biggM:M_CE4834
seedM:M_cpd34767 		secondary/obsolete/fantasy identifier