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3-Oxo-OPC6-CoA

MNXM165044 is deprecated and here replaced by MNXM731111
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM731111Image of MNXM731111
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC37H58N7O19P3S
charge0
mass1029.2721
referencechebi:80455
InChIKeyADGIRVMSHGGGHU-VITLBFIYSA-N
InChIInChI=1S/C37H58N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-22,24,26,30-32,36,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,24-,26+,30+,31+,32?,36+/m0/s1
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCC(=O)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
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:80455
chebi:80455 		3-Oxo-OPC6-CoA