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choloyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1104082Image of MNXM1104082
#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 22
formulaC45H70N7O20P3S
charge-4
mass1153.36311
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
SMILESC[C@H](CCC(=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](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57373
chebi:57373
choloyl-CoA
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}
choloyl-CoA tetraanion
choloyl-CoA(4-)
choloyl-coenzyme A(4-)
cholyl-CoA(4-)
cholyl-coenzyme A(4-)
sabiork.compound:5808
sabiorkM:5808
Choloyl-CoA
bigg.metabolite:cholcoa
biggM:cholcoa
Choloyl-CoA(4-)
seed.compound:cpd01237
seedM:cpd01237
Choloyl-CoA
3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholanoyl-CoA
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
choloyl-CoA
cholyl-CoA
kegg.compound:C01794
keggC:C01794
Choloyl-CoA
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA
SLM:000000858
slm:000000858
choloyl-CoA
reactome:R-ALL-192356
reactomeM:R-ALL-192356
reactome:R-ALL-194122
reactomeM:R-ALL-194122
CHEBI:15519
chebi:15519
choloyl-CoA
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
choloyl-coenzyme A
cholyl-CoA
cholyl-coenzyme A
metacyc.compound:CPD-202
metacycM:CPD-202
choloyl-CoA
3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholanoyl-CoA
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-CoA
chebi:13988
chebi:3671
chebi:37644
biggM:M_cholcoa
keggC:M_C01794
seedM:M_cpd01237
secondary/obsolete/fantasy identifier