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3-Oxo-4(R),8-Dimethyl-Nonanoyl Coenzyme A

PropertiesImageOccurences in reactions
MNX_IDMNXM1101999Image of MNXM1101999
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
formulaC32H50N7O18P3S
charge-4
mass945.21678
referencebiggM:CE4803
InChIKeyYMYLLQAUKBJHAS-RMJAONIFSA-J
InChIInChI=1S/C32H54N7O18P3S/c1-18(2)7-6-8-19(3)20(40)13-23(42)61-12-11-34-22(41)9-10-35-30(45)27(44)32(4,5)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)39-17-38-24-28(33)36-16-37-29(24)39/h16-19,21,25-27,31,43-44H,6-15H2,1-5H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/t19-,21+,25-,26-,27-,31+/m1/s1
SMILESCC(C)CCC[C@@H](C)C(=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
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Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE4803
biggM:CE4803
3-Oxo-4(R),8-Dimethyl-Nonanoyl Coenzyme A
hmdb:HMDB0060160 3-Oxo-4(R),8-dimethyl-nonanoyl-CoA
(2S)-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)-N-{2-[(2-{[(4R)-4,8-dimethyl-3-oxononanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-2-hydroxy-3,3-dimethylbutanimidic acid
(2S)-4-[({[(2S,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-{2-[(2-{[(4R)-4,8-dimethyl-3-oxononanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-2-hydroxy-3,3-dimethylbutanimidic acid
hmdb:HMDB60160
biggM:M_CE4803
secondary/obsolete/fantasy identifier