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(25S)-3-oxocholest-4-en-26-oyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM737007Image of MNXM737007
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
formulaC48H72N7O18P3S
charge-4
mass1160.114
referencechebi:83819
InChIKeyQHTNQHCVKNUPEI-ZAXAEIALSA-J
InChIInChI=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[CH3:1][C@H:27]([CH2:8][CH2:7][CH2:9][C@H:28]([CH3:2])[C:45](=[O:61])[S:77][CH2:21][CH2:20][N:50]=[C:36]([CH2:16][CH2:19][N:51]=[C:43]([C@@H:40]([C:46]([CH3:3])([CH3:4])[CH2:24][O:70][P:76]([OH:67])(=[O:68])[O:73][P:75]([OH:65])(=[O:66])[O:69][CH2:23][C@@H:35]1[C@@H:39]([O:72][P:74]([OH:62])([OH:63])=[O:64])[C@@H:38]([OH:58])[C@H:44]([n:55]2[cH:26][n:54][c:37]3[c:41]([NH2:49])[n:52][cH:25][n:53][c:42]32)[O:71]1)[OH:59])[OH:60])[OH:57])[C@H:32]1[CH2:12][CH2:13][C@H:33]2[C@@H:31]3[CH2:11][CH2:10][C:29]4=[CH:22][C:30](=[O:56])[CH2:14][CH2:17][C@:47]4([CH3:5])[C@H:34]3[CH2:15][CH2:18][C@:48]12[CH3:6]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:83819
chebi:83819 		(25S)-3-oxocholest-4-en-26-oyl-CoA
(25S)-3-oxocholest-4-en-26-oyl-CoA(4-)
(25S)-3-oxocholest-4-en-26-oyl-coenzyme A(4-)
kegg.compound:C20840
keggC:C20840 		(25S)-3-Oxocholest-4-en-26-oyl-CoA
SLM:000389966
slm:000389966 		(25S)-3-oxocholest-4-en-26-oyl-CoA(4-)
CHEBI:84666
chebi:84666 		(25S)-3-oxocholest-4-en-26-oyl-CoA
(25S)-3-oxocholest-4-en-26-oyl-coenzyme A
metacyc.compound:CPD-13691
metacycM:CPD-13691 		(25S)-3-oxocholest-4-en-26-oyl-CoA
(25S)-cholest-4-en-3-one-26-oyl-CoA
seed.compound:cpd23998
seedM:cpd23998 		3-oxocholest-4-en-26-oyl-CoA
(25S)-3-oxocholest-4-en-26-oyl-CoA
(25S)-cholest-4-en-3-one-26-oyl-CoA
cholest-4-en-3-one-26-oyl-CoA
CHEBI:23203
chebi:23203 		cholestenoyl-CoA
(25S)-3-oxocholest-4-en-26-oyl-CoA
cholestenoyl-CoAs
cholestenoyl-coenzyme A
cholestenoyl-coenzyme As
keggC:M_C20840
seedM:M_cpd23998 		secondary/obsolete/fantasy identifier