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3-oxo-cis-15-tetracosaenoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM163190Image of MNXM163190
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 6
formulaC45H74N7O18P3S
charge-4
mass1125.40458
referencebiggM:CE5156
InChIKeyOYATWRUGHUAXMW-KPDLDTBJSA-J
InChIInChI=1S/C45H78N7O18P3S/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/h11-12,31-32,34,38-40,44,56-57H,4-10,13-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b12-11-/t34?,38?,39?,40?,44-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1O[C@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE5156
biggM:CE5156
3-oxo-cis-15-tetracosaenoyl-CoA
biggM:M_CE5156 secondary/obsolete/fantasy identifier