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2-trans-9,12,15,18-all-cis-tetracosapentaenoyl-CoA

MNXM163157 is deprecated and here replaced by MNXM730631
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM730631Image of MNXM730631
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
formulaC45H68N7O17P3S
charge-4
mass1103.36272
referencebiggM:CE4830
InChIKeyAVRCOFDAWHWKMB-OTEAVKTNSA-J
InChIInChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8?,12-11-,15-14-,18-17?,25-24+/t34-,38+,39+,40-,44-/m0/s1
SMILESCCCCCC=CC/C=C\C/C=C\CC=CCCCCC/C=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
bigg.metabolite:CE4830
biggM:CE4830 		2-trans-9,12,15,18-all-cis-tetracosapentaenoyl-CoA
biggM:M_CE4830 secondary/obsolete/fantasy identifier