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(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA

Properties
MNX_IDMNXM549
formulaC48H76N7O20P3S
charge-4
mass1196.139503
referencechebi:58677
Image of MNXM549
InChIKeyMNYDLIUNNOCPHG-FJWDCHQMSA-J
InChIInChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1
SMILESC[C@H](CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref10
Distinct compatimentalized reactions in models11

Similar chemical compounds in external resources
IdentifierDescription
chebi:58677 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
(25R)-3,7,12-trihydroxycoprostanoyl-CoA(4-)
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-)
(25R)-3alpha,7alpha,12alpha-trihydroxycoprostanoyl-CoA(4-)
(25R)-THCA-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] diphosphate}
hmdb:HMDB0060305 (25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA
(25R)-3,7,12-Trihydroxycoprostanoyl-CoA
(25R)-3a,7a,12a-Trihydroxy-5b-cholestan-26-oyl-CoA
(25R)-3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA
(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
(25R)-THCA-CoA
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2R,6R)-2-methyl-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]heptanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(2R,6R)-2-methyl-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]heptanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid
metacycM:CPD-71 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
(25R)-trihydroxy-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
trihydroxycoprostanoyl-CoA
slm:000485379 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
biggM:cholcoar 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA
seedM:cpd11262 (25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
(25R)-trihydroxy-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
keggC:C15613 (25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA
chebi:37642
lipidmaps:LMFA07050104
reactome:R-ALL-192096
reactome:R-ALL-192308
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
(25R)-3,7,12-trihydroxycoprostanoyl-CoA
(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
(25R)-THCA-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
biggM:M_cholcoar
hmdb:HMDB60305
keggC:M_C15613
seedM:M_cpd11262
secondary/obsolete/fantasy identifier
MNXM89886is deprecated and replaced by this entry
MNXM91096is deprecated and replaced by this entry
MNXM91333is deprecated and replaced by this entry