**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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)CCCCCCCCCCCCCCCCCCc1ccc(O)cc1)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) [CH2:1]([CH2:2][CH2:22][C:30]([CH:31]([C:32](/[C:33](=[CH:34]\[CH2:35][CH2:36][CH2:37][C@@H:38]([CH2:43][C@@H:44]([O:60][NH:55][NH:54][CH2:53][CH2:52][CH2:50][CH2:48][CH2:46][NH:56][O:57][O:59][O:58][CH2:47][CH2:49][CH2:51][O:62][O:63][O:64][O:65]1=[O:66][O:67]=[O:68]([SH:71])[O:69]=[P:70]1)[OH:61])[CH3:45])[CH3:42])=[CH2:41])[CH3:40])=[CH2:39])[13CH2:3][C:4](=[CH2:5])[CH2:7][13CH2:6][CH2:8][C:10](=[CH2:9])[C@H:15]([C:13]([CH2:11][CH2:17][C:21]([CH2:18][CH2:23][C@@H:24]([C:25]([CH3:26])=[CH2:28])[CH2:27][CH3:29])(=[CH2:19])[CH3:20])([CH3:12])[CH3:14])[CH3:16]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:142260 chebi:142260	O-(S-C37-(phenol)carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine residue O-(S-C37-(phenol)carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine(1-) residue
seed.compound:cpd36903 seedM:cpd36903	C37-phenolcarboxyphthiodiolenone-PpsAE
metacyc.compound:C37-phenolcarboxyphthiodiolenone-PpsAE metacycM:C37-phenolcarboxyphthiodiolenone-PpsAE	a C37-phenolcarboxyphthiodiolenone-[(phenol)carboxyphthiodiolenone synthase]
seedM:M_cpd36903	secondary/obsolete/fantasy identifier