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(2S)-ibuprofenoyl-CoA

MNXM165244 is deprecated and here replaced by MNXM1106944
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1106944Image of MNXM1106944
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
formulaC34H48N7O17P3S
charge-4
mass951.20622
referencechebi:146204
InChIKeyZWOQHSZKILPKKA-MIXAKNBRSA-J
InChIInChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/t20-,23+,26+,27+,28-,32+/m0/s1
SMILESCC(C)Cc1ccc([C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])cc1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:146204
chebi:146204 		(2S)-ibuprofenoyl-CoA
(2S)-ibuprofenoyl-CoA(4-)
(2S)-ibuprofenoyl-coenzyme A(4-)
metacyc.compound:CPD-19079
metacycM:CPD-19079
seed.compound:cpd31444
seedM:cpd31444 		(2S)-ibuprofenoyl-CoA
seedM:M_cpd31444 secondary/obsolete/fantasy identifier