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3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA

MNXM162897 is deprecated and here replaced by MNXM730538
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM730538Image of MNXM730538
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 5
formulaC41H64N7O20P3S
charge-4
mass1099.31616
referencebiggM:CE5971
InChIKeyQRICRRFWADTSRS-XZQAVLHSSA-J
InChIInChI=1S/C41H68N7O20P3S/c1-4-5-6-7-8-11-14-27(49)15-12-9-10-13-16-28(50)21-29(51)22-32(53)72-20-19-43-31(52)17-18-44-39(56)36(55)41(2,3)24-65-71(62,63)68-70(60,61)64-23-30-35(67-69(57,58)59)34(54)40(66-30)48-26-47-33-37(42)45-25-46-38(33)48/h8-11,13,16,25-30,34-36,40,49-51,54-55H,4-7,12,14-15,17-24H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/b10-9+,11-8-,16-13-/t27?,28-,29?,30?,34?,35?,36?,40+/m1/s1
SMILESCCCCC/C=C\CC(O)CC/C=C/C=C\[C@@H](O)CC(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:CE5971
biggM:CE5971 		3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA
biggM:M_CE5971 secondary/obsolete/fantasy identifier