**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

(9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1371206 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C45H66N7O18P3S charge -4 mass 1118.033 reference metacycM:CPD-17332 InChIKey UQPANOGFYCZRAV-AAQCHOMXSA-J InChI InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4,7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17- SMILES [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:33]([CH2:28][C:36](=[O:55])[S:74][CH2:27][CH2:26][N:47]=[C:35]([CH2:24][CH2:25][N:48]=[C:43]([CH:40]([C:45]([CH3:2])([CH3:3])[CH2:30][O:67][P:73]([OH:64])(=[O:65])[O:70][P:72]([OH:62])(=[O:63])[O:66][CH2:29][CH:34]1[CH:39]([O:69][P:71]([OH:59])([OH:60])=[O:61])[CH:38]([OH:56])[CH:44]([n:52]2[cH:32][n:51][c:37]3[c:41]([NH2:46])[n:49][cH:31][n:50][c:42]32)[O:68]1)[OH:57])[OH:58])[OH:54])=[O:53]

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Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CPD-17332 metacycM:CPD-17332	(9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosa-9,12,15,18,21-pentaenoyl-CoA 3-oxotetracosapentaenoyl-CoA all-cis-9,12,15,18,21-3-oxotetracosapentaenoyl-CoA