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CoA-20-COOH-18-oxo-LTE4

MNXM47394 is deprecated and here replaced by MNXM736782
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM736782Image of MNXM736782
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
formulaC44H62N8O23P3S2
charge-5
mass1227.26095
referencebiggM:CE6189
InChIKeyHSPIWFCPBFIZFA-YXOUQQAOSA-I
InChIInChI=1S/C44H67N8O23P3S2/c1-44(2,24-72-78(69,70)75-77(67,68)71-22-30-37(74-76(64,65)66)36(59)42(73-30)52-26-51-35-39(46)49-25-50-40(35)52)38(60)41(61)48-18-17-32(55)47-19-20-79-34(58)21-27(53)13-10-8-6-4-3-5-7-9-11-15-31(80-23-28(45)43(62)63)29(54)14-12-16-33(56)57/h3,5-9,11,15,25-26,28-31,36-38,42,54,59-60H,4,10,12-14,16-24,45H2,1-2H3,(H,47,55)(H,48,61)(H,56,57)(H,62,63)(H,67,68)(H,69,70)(H2,46,49,50)(H2,64,65,66)/p-5/b5-3-,8-6-,9-7+,15-11+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1
SMILESCC(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-])C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE6189
biggM:CE6189 		CoA-20-COOH-18-oxo-LTE4
biggM:M_CE6189 secondary/obsolete/fantasy identifier