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3-oxo-cholest-4,24-dien-26-oyl-CoA

MNXM8126 is deprecated and here replaced by MNXM740474
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM740474

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₄₈H₇₀N₇O₁₈P₃S

charge

-4

mass

1157.37328

reference

chebi:86414

InChIKey

GPXOWXUADRQDFI-MVJCTYHBSA-J

InChI

InChI=1S/C48H74N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h9,22,25-27,31-35,38-40,44,58-59H,7-8,10-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/p-4/t27-,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1

SMILES

CC(=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)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
Identifier	Description
CHEBI:86414 chebi:86414	3-oxo-cholest-4,24-dien-26-oyl-CoA 3-oxocholesta-4,24-dien-26-oyl-CoA(4-) 3-oxocholesta-4,24-dien-26-oyl-coenzyme A(4-)
SLM:000485412 slm:000485412	3-oxo-cholest-4,24-dien-26-oyl-CoA
CHEBI:87141 chebi:87141	3-oxocholesta-4,24-dien-26-oyl-CoA 3-oxocholesta-4,24-dien-26-oyl-coenzyme A