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3,5-dioxodecanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM97279Image of MNXM97279
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC31H46N7O19P3S
charge-4
mass945.718
referenceseedM:cpd31921
InChIKeyCFIAMSAKPMQXNK-HSJNEKGZSA-J
InChIInChI=1S/C31H50N7O19P3S/c1-4-5-6-7-18(39)12-19(40)13-22(42)61-11-10-33-21(41)8-9-34-29(45)26(44)31(2,3)15-54-60(51,52)57-59(49,50)53-14-20-25(56-58(46,47)48)24(43)30(55-20)38-17-37-23-27(32)35-16-36-28(23)38/h16-17,20,24-26,30,43-44H,4-15H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-4/t20-,24-,25-,26+,30-/m1/s1
SMILES[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][C:18]([CH2:12][C:19]([CH2:13][C:22](=[O:42])[S:61][CH2:11][CH2:10][N:33]=[C:21]([CH2:8][CH2:9][N:34]=[C:29]([C@@H:26]([C:31]([CH3:2])([CH3:3])[CH2:15][O:54][P:60]([OH:51])(=[O:52])[O:57][P:59]([OH:49])(=[O:50])[O:53][CH2:14][C@@H:20]1[C@@H:25]([O:56][P:58]([OH:46])([OH:47])=[O:48])[C@@H:24]([OH:43])[C@H:30]([n:38]2[cH:17][n:37][c:23]3[c:27]([NH2:32])[n:35][cH:16][n:36][c:28]32)[O:55]1)[OH:44])[OH:45])[OH:41])=[O:40])=[O:39]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-14687
metacycM:CPD-14687
seed.compound:cpd31921
seedM:cpd31921 		3,5-dioxodecanoyl-CoA
seedM:M_cpd31921 secondary/obsolete/fantasy identifier