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choloyl-CoA

Image of MNXM431
Properties
MNX_IDMNXM431
formulaC45H70N7O20P3S
charge-4
mass1154.061
referencechebi:57373
InChIKeyZKWNOTQHFKYUNU-JGCIYWTLSA-J
InChIInChI=1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/p-4/t23-,24+,25-,26-,27+,28+,29-,30-,31+,34+,36-,37-,38+,42-,44+,45-/m1/s1
SMILES[H][C@@](C)(CCC(=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@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C

This chemical compound does not exist in my selection



Occurrences of choloyl-CoA in the MetaNetX repository

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Similar chemical compounds in external resources
IdentifierDescription
chebi:13988
chebi:15519
chebi:3671
chebi:37644
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-coenzyme A
Choloyl-CoA
S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-CoA
ZKWNOTQHFKYUNU-JGCIYWTLSA-N
choloyl-CoA
choloyl-coenzyme A
cholyl-CoA
cholyl-coenzyme A
chebi:57373 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
ZKWNOTQHFKYUNU-JGCIYWTLSA-J
choloyl-CoA
choloyl-CoA tetraanion
choloyl-CoA(4-)
choloyl-coenzyme A(4-)
cholyl-CoA(4-)
cholyl-coenzyme A(4-)
hmdb:HMDB01374
hmdb:HMDB02296
Choloyl-CoA
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-[(2-{[2-({4-[(1S,5R,9R,11S,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-({4-[(1S,5R,9R,11S,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
kegg:C01794 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA
Choloyl-CoA
metacyc:CPD-202 3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-CoA
CPD-202
choloyl-CoA
reactome:192356 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-one-CoA
choloyl-CoA
sabiork:5808
seed:cpd01237
Choloyl-CoA
slm:000000858 choloyl-CoA
deprecated:MNXM46596
deprecated:MNXM90955
deprecated:MNXM96461