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

O-[S-3-oxo-(9Z-octacosenoylpantetheine)-4'-phosphoryl]-L-serine residue

Properties Image MNX_ID MNXM11099 reference chebi:87861 formula C42H75N3O10PS*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)CCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C44H82N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-38(49)34-41(51)59-33-32-46-40(50)30-31-47-43(53)42(52)44(3,4)36-57-58(54,55)56-35-39(45-5)37(2)48/h23-24,39,42,45,52H,6-22,25-36H2,1-5H3,(H,46,50)(H,47,53)(H,54,55)/b24-23-/t39-,42-/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]/[CH:40]=[O:55]/[CH2:41][CH2:42][CH2:43][CH2:44][O:54][O:52][O:51][O:53][NH:45][NH:46][NH:47][O:48][O:49][O:50][O:56][O:57][PH:58][SH:59])=[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:87861 chebi:87861	O-[S-3-oxo-(9Z-octacosenoylpantetheine)-4'-phosphoryl]-L-serine residue 3-oxo-(9Z-C28:1-phosphopantetheine)-L-serine(1-) residue O-{S-[(9Z)-3-oxooctacosenoylpantetheine]-4'-phosphoryl}-L-serine(1-) residue
metacyc.compound:cis-delta9-3-oxo-montanoyl-ACPs metacycM:cis-delta9-3-oxo-montanoyl-ACPs	a (9Z)-3-oxooctacos-9-enoyl-[acp] a cis-delta9-3-oxo-C28:1-[acp]
seed.compound:cpd28467 seedM:cpd28467	a cis-delta9-3-oxo-C28:1-[acp] a (9Z)-3-oxooctacos-9-enoyl-[acp] cis-delta9-3-oxo-montanoyl-ACPs
seedM:M_cpd28467	secondary/obsolete/fantasy identifier