O-(S-C34-carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine residue

Properties Image MNX_ID MNXM164637 reference chebi:142237 formula C48H87N3O12PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(=O)/C(C)=C/CCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C50H94N3O12PS/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-42(55)36-43(56)31-28-27-29-39(2)46(58)40(3)49(61)67-35-34-52-45(57)32-33-53-48(60)47(59)50(5,6)38-65-66(62,63)64-37-44(51-7)41(4)54/h29,40,42-44,47,51,55-56,59H,8-28,30-38H2,1-7H3,(H,52,57)(H,53,60)(H,62,63)/b39-29+/t40?,42-,43-,44+,47+/m1/s1/i4+1,7+1 SMILES (mnx) [CH3:1][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][CH2:24][CH2:25][CH2:26][CH2:30][C@H:42]([CH2:36][C@@H:43]([CH2:31][CH2:28][CH2:27]/[CH:29]=[C:39](\[CH3:2])[C:46]([CH:40]([CH3:3])[C:49](=[O:61])[S:67][CH2:35][CH2:34][N:52]=[C:45]([CH2:32][CH2:33][N:53]=[C:48]([C@@H:47]([C:50]([CH3:5])([CH3:6])[CH2:38][O:65][P:66]([OH:62])(=[O:63])[O:64][CH2:37][C@@H:44]([C:41]([13CH3:4])=[O:54])[NH:51][13CH3:7])[OH:59])[OH:60])[OH:57])=[O:58])[OH:56])[OH:55]

Parent-child relations graph

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