(2E,15Z)-tetracosadienoyl-CoA

Properties Image MNX_ID MNXM145973 reference chebi:76393 formula C45H74N7O17P3S global charge -4 mol weight 1110.108 InChIKey VXYLAQGCUVCPNJ-KXWYWQGCSA-J InChI InChI=1S/C45H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,24-25,32-34,38-40,44,55-56H,4-10,13-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b12-11-,25-24+/t34-,38-,39-,40+,44-/m1/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-] MNX internals InChI (mnx) InChI=1/C45H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,24-25,32-34,38-40,44,55-56H,4-10,13-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-,25-24+/t34-,38-,39-,40+,44-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]/[CH:24]=[CH:25]/[C:36](=[O:54])[S:73][CH2:29][CH2:28][N:47]=[C:35]([CH2:26][CH2:27][N:48]=[C:43]([C@@H:40]([C:45]([CH3:2])([CH3:3])[CH2:31][O:66][P:72]([OH:63])(=[O:64])[O:69][P:71]([OH:61])(=[O:62])[O:65][CH2:30][C@@H:34]1[C@@H:39]([O:68][P:70]([OH:58])([OH:59])=[O:60])[C@@H:38]([OH:55])[C@H:44]([N:52]2[CH:33]=[N:51][C:37]3=[C:41]([NH2:46])[N:49]=[CH:32][N:50]=[C:42]32)[O:67]1)[OH:56])[OH:57])[OH:53]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 6