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3-hydroxy-9-oxo-9,10-seco-chola-1,3,5-trien-22-oyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM146923Image of MNXM146923
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC43H60N7O19P3S
charge-4
mass1103.28995
referencechebi:83794
InChIKeyPBSYGNWZDBQCKM-MMYXXXJSSA-J
InChIInChI=1S/C43H64N7O19P3S/c1-23-6-8-26(51)18-25(23)7-9-27-29-11-10-28(43(29,5)14-12-30(27)52)24(2)41(57)73-17-16-45-32(53)13-15-46-39(56)36(55)42(3,4)20-66-72(63,64)69-71(61,62)65-19-31-35(68-70(58,59)60)34(54)40(67-31)50-22-49-33-37(44)47-21-48-38(33)50/h6,8,18,21-22,24,27-29,31,34-36,40,51,54-55H,7,9-17,19-20H2,1-5H3,(H,45,53)(H,46,56)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/t24-,27-,28+,29-,31+,34+,35+,36-,40+,43+/m0/s1
SMILESCc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](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-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:83794
chebi:83794 		3-hydroxy-9-oxo-9,10-seco-chola-1,3,5-trien-22-oyl-CoA
3-HSBNC-CoA(4-)
3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-CoA(4-)
3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-coenzyme A(4-)
SLM:000390072
slm:000390072 		3-hydroxy-9-oxo-9,10-seco-23,24-bisnor-1,3,5-cholatrienoyl-CoA
CHEBI:84618
chebi:84618 		3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-CoA
3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-coenzyme A