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

MNXM740481 is deprecated and replaced by MNXM1103882
PropertiesImageOccurences in reactions
MNX_IDMNXM1103882Image of MNXM1103882
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
formulaC48H76N7O20P3S
charge-4
mass1195.41006
referencechebi:63001
InChIKeyMNYDLIUNNOCPHG-TUTZYBGQSA-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
SMILESCC(CCC[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:63001
chebi:63001 		3alpha,7alpha,12alpha-trihydroxy-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-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
3,7,12-trihydroxycoprostanoyl-CoA(4-)
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-)
3alpha,7alpha,12alpha-trihydroxycoprostanoyl-CoA(4-)
THCA-CoA(4-)
trihydroxycoprostanoyl-CoA(4-)
hmdb:HMDB0002178 3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA
(25R)-3-alpha,7-alpha,12-alpha-Trihydroxy-5-beta-cholestan-26-oyl-CoA
(25R)-3-alpha,7-alpha,12-alpha-Trihydroxy-5-beta-cholestan-26-oyl-coenzyme A
(25R)-3-alpha,7-alpha,12-alpha-Trihydroxy-5-beta-cholestanoyl-CoA
(25R)-3-alpha,7-alpha,12-alpha-Trihydroxy-5-beta-cholestanoyl-coenzyme A
25(S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA
25(S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-coenzyme A
25(S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA
25(S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-coenzyme A
25(S)-5beta-Cholestane-3alpha,7alpha,12alpha-triol-26-oyl-CoA
25(S)-5beta-Cholestane-3alpha,7alpha,12alpha-triol-26-oyl-coenzyme A
25(S)-Trihydroxycoprostanoyl-CoA
25(S)-Trihydroxycoprostanoyl-coenzyme A
3,7,12-Trihydroxy-5b-cholestanoyl-CoA
3,7,12-Trihydroxy-5beta-cholestanoyl-CoA
3,7,12-Trihydroxycholestan-26-oyl-CoA
3,7,12-Trihydroxycoprostanoyl-CoA
3-alpha,7-alpha,12-alpha-Trihydroxy-5-beta- cholanoyl-CoA
3-alpha,7-alpha,12-alpha-Trihydroxy-5-beta- cholanoyl-coenzyme A
3a,7a,12a-Trihydroxy-5b-cholestan-26-oyl-CoA
3a,7a,12a-Trihydroxy-5b-cholestan-26-oyl-coenzyme A
3a,7a,12a-Trihydroxy-5b-cholestanoate
3a,7a,12a-Trihydroxy-5b-cholestanoic acid
3a,7a,12a-Trihydroxy-5b-cholestanoic acid coenzyme A ester
3a,7a,12a-Trihydroxy-5b-cholestanoyl CoA
3a,7a,12a-Trihydroxy-5b-cholestanoyl coenzyme A
3a,7a,12a-Trihydroxycoprostanoyl-CoA
3alpha,7alpha,12alpha-Trihydroxy-5 beta-cholestan-26-oyl-coenzyme A
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-coenzyme A
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA(S)
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-coenzyme A
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-coenzyme A(S)
3alpha,7alpha,12alpha-Trihydroxycoprostanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coenzyme A
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxycoprostanoyl-CoA
S-(3a,5b,7a,12a)-3,7,12-Trihydroxycholestane-26-thioate
S-(3a,5b,7a,12a)-3,7,12-Trihydroxycholestane-26-thioic acid
S-(3a,7a,12a-Trihydroxy-5b-cholestanoyl)-coenzyme A
S-(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-26-thioate
S-(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-26-thioic acid
S-(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestane-26-thioate
S-(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestane-26-thioic acid
S-(3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl)-coenzyme
S-(3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl)-coenzyme A
S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl)-coenzyme A
S-TRHCcoenzyme A
S-TrHCCoA
THCA-CoA
Trihydroxycoprostanoyl-CoA
trihydroxycoprostanoyl-coa
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[(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)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
sabiork.compound:7546
sabiorkM:7546 		3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA
CHEBI:15493
chebi:15493 		3alpha,7alpha,12alpha-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,12alpha-trihydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3,7,12-Trihydroxy-5beta-cholestanoyl-CoA
3,7,12-Trihydroxycholestan-26-oyl-coa
3,7,12-trihydroxycoprostanoyl-CoA
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coenzyme A
3alpha,7alpha,12alpha-trihydroxycoprostanoyl-CoA
S-(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-26-thioate
S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl)-coenzyme A
THCA-CoA
Thca-CoA
trihydroxycoprostanoyl-CoA
hmdb:HMDB02178
chebi:11899
chebi:1699
chebi:20222 		secondary/obsolete/fantasy identifier