Feedback

3-oxocholest-4-en-26-oyl-CoA

MNXM8127 is deprecated and here replaced by MNXM737006
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM737006

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

formula

C₄₈H₇₂N₇O₁₈P₃S

charge

-4

mass

1159.38893

reference

chebi:78359

InChIKey

QHTNQHCVKNUPEI-OTVFJGRSSA-J

InChI

InChI=1S/C48H76N7O18P3S/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/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/p-4/t27-,28?,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:78359 chebi:78359	3-oxocholest-4-en-26-oyl-CoA 3-oxocholest-4-en-26-oyl-CoA(4-) 3-oxocholest-4-en-26-oyl-coenzyme A(4-) Delta(4)-dafachronoyl-CoA(4-) Delta(4)-dafachronoyl-coenzyme A(4-)
SLM:000389887 slm:000389887	3-oxocholest-4-en-26-oyl-CoA
CHEBI:79273 chebi:79273	Delta(4)-dafachronoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxocholest-4-en-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-oxocholest-4-en-26-oyl-CoA 3-oxocholest-4-en-26-oyl-coenzyme A Delta(4)-dafachronoyl-coenzyme A