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chenodeoxycholoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1103837Image of MNXM1103837
#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 25
formulaC45H70N7O19P3S
charge-4
mass1137.3682
referencechebi:62989
InChIKeyIIWDDMINEZBCTG-RUAADODMSA-J
InChIInChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t24-,25+,26-,27-,28+,29+,30-,31-,34+,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]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
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Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:62989
chebi:62989
chenodeoxycholoyl-CoA
chenodeoxycholoyl-CoA(4-)
chenodeoxycholoyl-coenzyme A(4-)
bigg.metabolite:dcholcoa
biggM:dcholcoa
Chenodeoxycholoyl coenzyme a
sabiork.compound:2771
sabiorkM:2771
Chenodeoxycholoyl-CoA
kegg.compound:C05337
keggC:C05337
Chenodeoxycholoyl-CoA
3alpha,7alpha-Dihydroxy-5beta-cholanoyl-CoA
seed.compound:cpd03164
seedM:cpd03164
Chenodeoxycholoyl-CoA
3alpha,7alpha-Dihydroxy-5beta-cholanoyl-CoA
3alpha,7alpha-dihydroxy-5beta-cholanoyl-CoA
chenodeoxychololyl-CoA
chenodeoxycholoyl-CoA
bigg.metabolite:dgcholcoa
biggM:dgcholcoa
Chenodeoxyglycocholoyl-CoA
SLM:000000860
slm:000000860
chenodeoxycholoyl-CoA
reactome:R-ALL-193472
reactomeM:R-ALL-193472
reactome:R-ALL-194126
reactomeM:R-ALL-194126
CHEBI:28701
chebi:28701
chenodeoxycholoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3alpha,7alpha-Dihydroxy-5beta-cholanoyl-CoA
Chenodeoxycholoyl-CoA
chenodeoxycholoyl-coenzyme A
metacyc.compound:CPD-10556
metacycM:CPD-10556
chenodeoxycholoyl-CoA
3alpha,7alpha-dihydroxy-5beta-cholanoyl-CoA
chenodeoxychololyl-CoA
chebi:23095
chebi:3589
biggM:M_dcholcoa
biggM:M_dgcholcoa
keggC:M_C05337
seedM:M_cpd03164
secondary/obsolete/fantasy identifier