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(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104176

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	11

formula

C₄₈H₇₆N₇O₂₀P₃S

charge

-4

mass

1195.41006

reference

chebi:87702

InChIKey

SZBMUAIJWNJARR-UIZKVWQNSA-J

InChI

InChI=1S/C48H80N7O20P3S/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/h23-34,36,38-40,44,56-58,60-61H,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

SMILES

C[C@H](CC[C@@H](O)[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](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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87702 chebi:87702	(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-coenzyme A(4-)
kegg.compound:C05448 keggC:C05448	(24R,25R)-3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA (24R,25R)-3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oyl-CoA
hmdb:HMDB0062743	(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA (24R,25R)-3a,7a,24-Trihydroxy-5b-cholestan-26-oyl-CoA (24R,25R)-3a,7a,24-Trihydroxy-5b-cholestan-26-oyl-coenzyme A (24R,25R)-3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oyl-coenzyme A (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-coenzyme A [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[({[(3R)-3-({2-[(2-{[(2R,3R,6R)-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-3-hydroxy-2-methylheptanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxyphosphonic acid {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{[(2R,3R,6R)-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-3-hydroxy-2-methylheptanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
CHEBI:88065 chebi:88065	(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-coenzyme A
metacyc.compound:CPD-10590 metacycM:CPD-10590 seed.compound:cpd22728 seedM:cpd22728	(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestanoyl CoA
lipidmaps:LMST04030234 lipidmapsM:LMST04030234	3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-({6-[(2S,5R,7S,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-3-hydroxy-2-methylheptanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
bigg.metabolite:thcholoylcoa biggM:thcholoylcoa seed.compound:cpd03231 seedM:cpd03231	3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA
reactome:R-ALL-193732 reactomeM:R-ALL-193732 reactome:R-ALL-193739 reactomeM:R-ALL-193739 CHEBI:27403 chebi:27403	3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-coenzyme A
hmdb:HMDB62743 chebi:1701 chebi:20225 biggM:M_thcholoylcoa keggC:M_C05448 seedM:M_cpd03231 seedM:M_cpd22728	secondary/obsolete/fantasy identifier