a very long chain fatty-acyl adenylate ester

Properties Image MNX_ID MNXM1134894 reference metacycM:VERY-LONG-CHAIN-FATTY-ACYL-AMPs formula C33H56N5O8P* global charge -1 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCCCCCCCCCCCC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C34H60N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(40)47-48(43,44)45-24-27-30(41)31(42)34(46-27)39-26-38-29-32(35)36-25-37-33(29)39/h25-27,30-31,34,41-42H,2-24H2,1H3,(H,43,44)(H2,35,36,37)/t27-,30-,31-,34-/m1/s1/i1+1 SMILES (mnx) [13CH3:1][CH2:2][CH2:3][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][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:28](=[O:40])[O:47][P:48]([OH:43])(=[O:44])[O:45][CH2:24][C@@H:27]1[C@@H:30]([OH:41])[C@@H:31]([OH:42])[C@H:34]([N:39]2[CH:26]=[N:38][C:29]3=[C:32]([NH2:35])[N:36]=[CH:25][N:37]=[C:33]32)[O:46]1

Parent-child relations graph

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