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2,6-dimethylheptanoyl-CoA

MNXM8044 is deprecated and here replaced by MNXM1104111
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1104111Image of MNXM1104111
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 10
formulaC30H48N7O17P3S
charge-4
mass903.20622
referencechebi:84847
InChIKeyGPXWBKWDXPBLKS-LNSOOWQSSA-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-/m1/s1
SMILESCC(C)CCCC(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:84847
chebi:84847 		2,6-dimethylheptanoyl-CoA
2,6-dimethylheptanoyl-CoA(4-)
bigg.metabolite:dmhptcoa
biggM:dmhptcoa 		2,6 dimethylheptanoyl-CoA
CHEBI:85504
chebi:85504 		2,6-dimethylheptanoyl-CoA
biggM:M_dmhptcoa secondary/obsolete/fantasy identifier