O-(S-C37-(phenol)carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine residue

Properties Image MNX_ID MNXM164649 reference chebi:142260 formula C51H85N3O13PS*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)CCCCCCCCCCCCCCCCCCC1=CC=C(O)C=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C53H92N3O13PS/c1-40(25-23-24-28-46(60)37-45(59)27-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-43-29-31-44(58)32-30-43)49(62)41(2)52(65)71-36-35-55-48(61)33-34-56-51(64)50(63)53(4,5)39-69-70(66,67)68-38-47(54-6)42(3)57/h25,29-32,41,45-47,50,54,58-60,63H,7-24,26-28,33-39H2,1-6H3,(H,55,61)(H,56,64)(H,66,67)/b40-25+/t41?,45-,46-,47+,50+/m1/s1/i3+1,6+1 SMILES (mnx) [CH3:1]/[C:40](=[CH:25]\[CH2:23][CH2:24][CH2:28][C@H:46]([CH2:37][C@@H:45]([CH2:27][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:26][C:43]1=[CH:30][CH:32]=[C:44]([OH:58])[CH:31]=[CH:29]1)[OH:59])[OH:60])[C:49]([CH:41]([CH3:2])[C:52](=[O:65])[S:71][CH2:36][CH2:35][N:55]=[C:48]([CH2:33][CH2:34][N:56]=[C:51]([C@@H:50]([C:53]([CH3:4])([CH3:5])[CH2:39][O:69][P:70]([OH:66])(=[O:67])[O:68][CH2:38][C@@H:47]([C:42]([13CH3:3])=[O:57])[NH:54][13CH3:6])[OH:63])[OH:64])[OH:61])=[O:62]

Parent-child relations graph

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