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

O-(S-C40-phthioceranylpantetheine-4'-phosphoryl)-L-serine residue

Properties Image MNX_ID MNXM167366 reference chebi:142472 formula C54H103N3O9PS*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@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C56H110N3O9PS/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-42(2)33-43(3)34-44(4)35-45(5)36-46(6)37-47(7)38-48(8)39-49(9)55(64)70-32-31-58-52(61)29-30-59-54(63)53(62)56(11,12)41-68-69(65,66)67-40-51(57-13)50(10)60/h42-49,51,53,57,62H,14-41H2,1-13H3,(H,58,61)(H,59,63)(H,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-,51-,53-/m0/s1/i10+1,13+1 SMILES (mnx) [CH2:1]([CH2:2][CH2:22][C:30]([C@@H:31]([CH2:32][C@H:33]([CH2:34][C@H:35]([CH2:36][C@@H:37]([CH2:38][C@@H:42]([CH2:43][N:58]([CH2:53][C@H:52]([CH2:51][C@@H:50]([CH2:48][CH2:46][CH2:44][CH2:54][CH2:55][NH:57][CH2:56][CH2:45][CH2:47][CH2:49][NH:59][O:60][O:61][O:68][PH:69][SH:70])[OH:67])[OH:66])[OH:65])[OH:64])[OH:63])[OH:62])[CH3:41])[CH3:40])=[CH2:39])[CH2:3][C:4](=[CH2:5])[CH2:7][CH2:6][CH2:8][13C:10](=[CH2:9])[CH:15]([13C: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) 1 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:142472 chebi:142472	O-(S-C40-phthioceranylpantetheine-4'-phosphoryl)-L-serine residue O-(S-C40-phthioceranylpantetheine-4'-phosphoryl)-L-serine(1-) residue
seed.compound:cpd37140 seedM:cpd37140	C40-phthioceranyl-PKS2
metacyc.compound:C40-phthioceranyl-PKS2 metacycM:C40-phthioceranyl-PKS2	a C40-phthioceranyl-[(hydroxy)phthioceranic acid synthase]
seedM:M_cpd37140	secondary/obsolete/fantasy identifier