heptadecanoyl-CoA

Properties Image MNX_ID MNXM1104779 reference chebi:74307 formula C38H64N7O17P3S global charge -4 mol weight 1015.951 InChIKey DRABUZIHHACUPI-DUPKZGIXSA-J InChI InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t27-,31-,32-,33+,37-/m1/s1 SMILES CCCCCCCCCCCCCCCCC(=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/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:29](=[O:47])[S:66][CH2:22][CH2:21][N:40]=[C:28]([CH2:19][CH2:20][N:41]=[C:36]([C@@H:33]([C:38]([CH3:2])([CH3:3])[CH2:24][O:59][P:65]([OH:56])(=[O:57])[O:62][P:64]([OH:54])(=[O:55])[O:58][CH2:23][C@@H:27]1[C@@H:32]([O:61][P:63]([OH:51])([OH:52])=[O:53])[C@@H:31]([OH:48])[C@H:37]([N:45]2[CH:26]=[N:44][C:30]3=[C:34]([NH2:39])[N:42]=[CH:25][N:43]=[C:35]32)[O:60]1)[OH:49])[OH:50])[OH:46]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 18 in models (compartimentalized) 18