Feedback

lithocholoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM729839Image of MNXM729839
#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 1
formulaC45H70N7O18P3S
charge-4
mass1121.37328
referencechebi:87438
InChIKeyMHVCMYOMCROIEL-FYYKUXHTSA-J
InChIInChI=1S/C45H74N7O18P3S/c1-25(29-9-10-30-28-8-7-26-20-27(53)12-15-44(26,4)31(28)13-16-45(29,30)5)6-11-34(55)74-19-18-47-33(54)14-17-48-41(58)38(57)43(2,3)22-67-73(64,65)70-72(62,63)66-21-32-37(69-71(59,60)61)36(56)42(68-32)52-24-51-35-39(46)49-23-50-40(35)52/h23-32,36-38,42,53,56-57H,6-22H2,1-5H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t25-,26-,27-,28+,29-,30+,31+,32-,36-,37-,38+,42-,44+,45-/m1/s1
SMILESC[C@H](CCC(=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-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:87438
chebi:87438
lithocholoyl-CoA
lithocholoyl-CoA(4-)
lithocholoyl-coenzyme A(4-)
lithocholyl-CoA(4-)
lithocholyl-coenzyme A(4-)
sabiork.compound:26974
sabiorkM:26974
kegg.compound:C21449
keggC:C21449
Lithocholoyl-CoA
metacyc.compound:CPD-10557
metacycM:CPD-10557
seed.compound:cpd22718
seedM:cpd22718
lithocholoyl-CoA
SLM:000485702
slm:000485702
lithocholyl-CoA
CHEBI:87769
chebi:87769
lithocholyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3alpha-hydroxy-5beta-cholan-24-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lithocholoyl-CoA
lithocholoyl-coenzyme A
lithocholyl-coenzyme A
keggC:M_C21449
seedM:M_cpd22718
secondary/obsolete/fantasy identifier