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3-oxochol-4-en-22-oyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM6835Image of MNXM6835
#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 4
formulaC43H62N7O18P3S
charge-4
mass1089.31068
referencechebi:83792
InChIKeyCJJBDUCNUMWUJX-ZKTJOKCMSA-J
InChIInChI=1S/C43H66N7O18P3S/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/h18,21-23,26-30,33-35,39,53-54H,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/t23-,26-,27+,28-,29-,30+,33+,34+,35-,39+,42-,43+/m0/s1
SMILESC[C@H](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-])[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
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Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:83792
chebi:83792
3-oxochol-4-en-22-oyl-CoA
3-ketopregn-4-ene-20-carboxy-CoA(4-)
3-ketopregn-4-ene-20-carboxy-coenzyme A(4-)
3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA(4-)
3-oxo-23,24-bisnorchol-4-en-22-oyl-coenzyme A(4-)
3-oxopregn-4-ene-20-carboxy-coenzyme A(4-)
4-BNC-CoA(4-)
seed.compound:cpd24006
seedM:cpd24006
3-one-23,24-bisnorchol-4-en-22-yl-CoA
3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA
3-oxo-4-pregnene-20-carboxyl-CoA
4-BNC-CoA
androst-4-en-3-one-17-propanoyl-CoA
pregenenone-coA
SLM:000390070
slm:000390070
3-oxo-23,24-bisnor-4-cholenoyl-CoA
CHEBI:84616
chebi:84616
3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA
3-oxo-23,24-bisnorchol-4-en-22-oyl-coenzyme A
metacyc.compound:CPD-13700
metacycM:CPD-13700
3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA
3-oxochol-4-en-22-oyl-CoA
4-BNC-CoA
pregna-4-ene-3-one-20-oyl-CoA
chebi:86015
seedM:M_cpd24006
secondary/obsolete/fantasy identifier