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Trans-eicos-2-enoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM163905Image of MNXM163905
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 6
formulaC41H68N7O17P3S
charge-4
mass1055.36272
referencebiggM:CE2243
InChIKeyROOFWBIMBMJYGA-XTSUOFIPSA-J
InChIInChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h20-21,28-30,34-36,40,51-52H,4-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t30-,34+,35+,36?,40-/m0/s1
SMILESCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(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
bigg.metabolite:CE2243
biggM:CE2243 		Trans-eicos-2-enoyl-CoA
sabiork.compound:23434
sabiorkM:23434 		trans-Eicos-2-enoyl-CoA
biggM:M_CE2243 secondary/obsolete/fantasy identifier