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6-methyloctanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1371058Image of MNXM1371058
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC30H48N7O17P3S
charge-4
mass903.725
referencemetacycM:CPD-16447
InChIKeyZFZDPPFWLRZAIM-UHFFFAOYSA-J
InChIInChI=1S/C30H52N7O17P3S/c1-5-18(2)8-6-7-9-21(39)58-13-12-32-20(38)10-11-33-28(42)25(41)30(3,4)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-19,23-25,29,40-41H,5-15H2,1-4H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4
SMILES[CH3:1][CH2:5][CH:18]([CH3:2])[CH2:8][CH2:6][CH2:7][CH2:9][C:21](=[O:39])[S:58][CH2:13][CH2:12][N:32]=[C:20]([CH2:10][CH2:11][N:33]=[C:28]([CH:25]([C:30]([CH3:3])([CH3:4])[CH2:15][O:51][P:57]([OH:48])(=[O:49])[O:54][P:56]([OH:46])(=[O:47])[O:50][CH2:14][CH:19]1[CH:24]([O:53][P:55]([OH:43])([OH:44])=[O:45])[CH:23]([OH:40])[CH:29]([n:37]2[cH:17][n:36][c:22]3[c:26]([NH2:31])[n:34][cH:16][n:35][c:27]32)[O:52]1)[OH:41])[OH:42])[OH:38]
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Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-16447
metacycM:CPD-16447 		6-methyloctanoyl-CoA
hmdb:HMDB0300851 6-Methyloctanoyl-CoA
4-({[({[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-[(6-methyloctanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
4-({[({[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-[(6-methyloctanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate
4-({[({[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-[(6-methyloctanoyl)sulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
[5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(6-methyloctanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid
{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(6-methyloctanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid