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3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA

MNXM730564 is deprecated and replaced by MNXM1104105
PropertiesImageOccurences in reactions
MNX_IDMNXM1104105Image of MNXM1104105
#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 13
formulaC48H74N7O21P3S
charge-4
mass1209.38933
referencechebi:58507
InChIKeyAWLXQJGPNLCTLM-YFXOTMPNSA-J
InChIInChI=1S/C48H78N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-30,32-34,36,38-40,44,56,58-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/p-4/t24-,25?,26+,27-,28-,29+,30+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1
SMILESCC(C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O)C(=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:58507
chebi:58507 		3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA tetraanion
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA(4-)
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-coenzyme A(4-)
bigg.metabolite:cholcoaone
biggM:cholcoaone
sabiork.compound:7937
sabiorkM:7937 		3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA
seed.compound:cpd03248
seedM:cpd03248 		3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA
24-keto,(25R)-trihydroxycholestanoyl-CoA
3-alpha,7-alpha,12-alpha-trihydroxy-24-oxo-5-beta-cholestanoyl CoA
3alpha,7alpha,12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5-beta-cholestanoyl CoA
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-one-CoA
kegg.compound:C05467
keggC:C05467 		3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA
3alpha,7alpha,12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA
metacyc.compound:CPD-7257
metacycM:CPD-7257 		3alpha,7alpha,12alpha-trihydroxy-24-oxo-5-beta-cholestanoyl CoA
24-keto,(25R)-trihydroxycholestanoyl-CoA
3-alpha,7-alpha,12-alpha-trihydroxy-24-oxo-5-beta-cholestanoyl CoA
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-one-CoA
SLM:000399873
slm:000399873 		3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA
reactome:R-ALL-192339
reactomeM:R-ALL-192339
CHEBI:27379
chebi:27379 		3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3alpha,7alpha,12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-coenzyme A
chebi:1693
chebi:20214
biggM:M_cholcoaone
keggC:M_C05467
seedM:M_cpd03248 		secondary/obsolete/fantasy identifier