Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

3-oxo-23,24-bisnorchol-4,17(20)-dien-22-oyl-CoA

MNXM164257 is deprecated and replaced by MNXM10075
PropertiesImageOccurences in reactions
MNX_IDMNXM10075Image of MNXM10075
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
formulaC43H60N7O18P3S
charge-4
mass1087.29503
referencemetacycM:CPD-13751
InChIKeyUCGYLLKGKGOQIG-WHXJPRLZSA-J
InChIInChI=1S/C43H64N7O18P3S/c1-23(27-8-9-28-26-7-6-24-18-25(51)10-13-42(24,4)29(26)11-14-43(27,28)5)40(56)72-17-16-45-31(52)12-15-46-38(55)35(54)41(2,3)20-65-71(62,63)68-70(60,61)64-19-30-34(67-69(57,58)59)33(53)39(66-30)50-22-49-32-36(44)47-21-48-37(32)50/h18,21-22,26,28-30,33-35,39,53-54H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b27-23+/t26-,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1
SMILESC/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-])=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-13751
metacycM:CPD-13751
seed.compound:cpd24025
seedM:cpd24025 		3-oxo-23,24-bisnorchol-4,17(20)-dien-22-oyl-CoA
3-oxo-4,17-pregnadiene-20-carboxyl-CoA
CHEBI:86301
chebi:86301 		20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA
20-methyl-3-oxopregna-4,17-dien-21-oyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(20-methyl-3-oxopregna-4,17-dien-21-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
3-keto-20-methylpregna-4,17-dien-21-oyl-CoA
3-keto-20-methylpregna-4,17-dien-21-oyl-coenzyme A
SLM:000485399
slm:000485399 		3-oxo-23,24-bisnor-chol-4,17-dien-22-oyl-CoA
CHEBI:86020
chebi:86020 		3-oxochola-4,17-dien-22-oyl-CoA
20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA(4-)
20-methyl-3-oxopregna-4,17-dien-21-oyl-coenzyme A(4-)
3-keto-20-methylpregna-4,17-dien-21-oyl-CoA(4-)
3-keto-20-methylpregna-4,17-dien-21-oyl-coenzyme A(4-)
seedM:M_cpd24025 secondary/obsolete/fantasy identifier