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(2S,6)-dimethylheptanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM163033Image of MNXM163033
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
formulaC30H48N7O17P3S
charge-4
mass903.20622
referencechebi:86983
InChIKeyGPXWBKWDXPBLKS-WDMCVEARSA-J
InChIInChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18-,19+,22+,23+,24-,28+/m0/s1
SMILESCC(C)CCC[C@H](C)C(=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-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:86983
chebi:86983 		(2S,6)-dimethylheptanoyl-CoA
(2S)-2,6-dimethylheptanoyl-CoA(4-)
(2S)-2,6-dimethylheptanoyl-coenzyme A(4-)
CHEBI:87182
chebi:87182 		(2S)-2,6-dimethylheptanoyl-CoA
(2S)-2,6-dimethylheptanoyl-coenzyme A
bigg.metabolite:CE4798
biggM:CE4798 		2(S),6-Dimethyl-Heptanoyl Coenzyme A
biggM:M_CE4798 secondary/obsolete/fantasy identifier