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3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestanoyl CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1104147Image of MNXM1104147
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 4
formulaC48H74N7O20P3S
charge-4
mass1193.39441
referencemetacycM:CPD-10591
InChIKeyQWTJBRPOHKIMDT-QRIWBPLKSA-J
InChIInChI=1S/C48H78N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-31,33-34,36,38-40,44,56,58,60-61H,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+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1
SMILESC[C@H](C(=O)CC[C@@H](C)[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)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
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Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-10591
metacycM:CPD-10591
seed.compound:cpd22729
seedM:cpd22729
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestanoyl CoA
lipidmaps:LMST01010219
lipidmapsM:LMST01010219
3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA
seed.compound:cpd03232
seedM:cpd03232
kegg.compound:C05449
keggC:C05449
3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA
reactome:R-ALL-193403
reactomeM:R-ALL-193403
CHEBI:28533
chebi:28533
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-coenzyme A
CHEBI:87704
chebi:87704
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA(4-)
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-coenzyme A(4-)
chebi:1704
chebi:20229
keggC:M_C05449
seedM:M_cpd03232
seedM:M_cpd22729
secondary/obsolete/fantasy identifier