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12-methyloctadecanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM145720Image of MNXM145720
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
formulaC40H68N7O17P3S
charge-4
mass1043.36272
referencechebi:84181
InChIKeyRWYZCQJNRLRWIV-FQUAXEBYSA-J
InChIInChI=1S/C40H72N7O17P3S/c1-5-6-7-14-17-28(2)18-15-12-10-8-9-11-13-16-19-31(49)68-23-22-42-30(48)20-21-43-38(52)35(51)40(3,4)25-61-67(58,59)64-66(56,57)60-24-29-34(63-65(53,54)55)33(50)39(62-29)47-27-46-32-36(41)44-26-45-37(32)47/h26-29,33-35,39,50-51H,5-25H2,1-4H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t28?,29-,33-,34-,35+,39-/m1/s1
SMILESCCCCCCC(C)CCCCCCCCCCC(=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
CHEBI:84181
chebi:84181 		12-methyloctadecanoyl-CoA
12-methyloctadecanoyl-CoA(4-)
12-methyloctadecanoyl-coenzyme A(4-)
CHEBI:85073
chebi:85073 		12-methyloctadecanoyl-CoA
12-methyloctadecanoyl-coenzyme A
12-methylstearoyl-CoA
12-methylstearoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(12-methyloctadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}