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3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1103943Image of MNXM1103943
#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 10
formulaC48H78N7O20P3S
charge0
mass1197.42352
referencechebi:27505
InChIKeyQVDPWQVOSKJUES-SQEGORTJSA-N
InChIInChI=1S/C48H78N7O20P3S/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/h9,23-25,27-34,36,38-40,44,56-58,60-61H,7-8,10-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,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
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Similar chemical compounds in external resources
IdentifierDescription
reactome:R-ALL-192342
reactomeM:R-ALL-192342
CHEBI:27505
chebi:27505
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-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-cholest-24-en-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA
bigg.metabolite:cholcoads
biggM:cholcoads
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA
chebi:1695
chebi:20217
biggM:M_cholcoads
secondary/obsolete/fantasy identifier