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

O-[S-3-oxo-(11Z-triacontenoylpantetheine)-4'-phosphoryl]-L-serine residue

Properties Image MNX_ID MNXM11073 reference chebi:87865 formula C44H79N3O10PS*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)CC(=O)CCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C46H86N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-40(51)36-43(53)61-35-34-48-42(52)32-33-49-45(55)44(54)46(3,4)38-59-60(56,57)58-37-41(47-5)39(2)50/h23-24,41,44,47,54H,6-22,25-38H2,1-5H3,(H,48,52)(H,49,55)(H,56,57)/b24-23-/t41-,44-/m0/s1/i2+1,5+1 SMILES (mnx) [CH2:1]([13C:2](=[CH2:3])[13CH2:5][CH2:4][CH2:6][C:8](=[CH2:7])[C@@H:13]([C:11]([CH2:9][CH2:15][C:19]([CH2:16][CH2:20][C@@H:21]([C:22]([CH3:23])=[CH2:25])[CH2:24][CH3:26])(=[CH2:17])[CH3:18])([CH3:10])[CH3:12])[CH3:14])[CH2:27][CH2:28][CH2:29][C:30]([CH2:31][C:33]([CH2:34][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]/[CH:42]=[O:53]/[CH2:43][CH2:44][CH2:45][CH2:46][NH:47][NH:48][NH:49][O:50][O:51][O:52][O:54][O:55][O:56][O:57][O:58][O:59][PH:60][SH:61])=[CH2:35])=[CH2:32]

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:87865 chebi:87865	O-[S-3-oxo-(11Z-triacontenoylpantetheine)-4'-phosphoryl]-L-serine residue 3-oxo-(11Z-C30:1-phosphopantetheine)-L-serine(1-) residue O-{S-[(11Z)-3-oxotriacontenoylpantetheine]-4'-phosphoryl}-L-serine(1-) residue
metacyc.compound:cis-delta11-3-oxo-melissoyl-ACPs metacycM:cis-delta11-3-oxo-melissoyl-ACPs	a cis-delta11-3-oxo-C30:1-[acp]
seed.compound:cpd28443 seedM:cpd28443	a cis-delta11-3-oxo-C30:1-[acp] cis-delta11-3-oxo-melissoyl-ACPs
seedM:M_cpd28443	secondary/obsolete/fantasy identifier