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

O-[S-3-oxo-(17Z,29Z-octatetracontadienoylpantetheine)-4'-phosphoryl]-L-serine residue

Properties Image MNX_ID MNXM11031 reference chebi:87906 formula C62H113N3O10PS*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)CCCCCCCCCCCCC/C=C\CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C64H120N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-58(69)54-61(71)79-53-52-66-60(70)50-51-67-63(73)62(72)64(3,4)56-77-78(74,75)76-55-59(65-5)57(2)68/h23-24,35-36,59,62,65,72H,6-22,25-34,37-56H2,1-5H3,(H,66,70)(H,67,73)(H,74,75)/b24-23-,36-35-/t59-,62-/m0/s1/i2+1,5+1 SMILES (mnx) [CH2:1]([13CH2:2][CH2:22][C:30](=[CH2:31])[CH2:49][C:50]([CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]/[CH:64]=[N:65]\[NH:66][NH:67][O:68][O:69][O:70][O:71][O:72][O:73][O:74][O:75]/[O:76]=[O:77]/[PH:78][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])=[S:79])[CH2:3][C:4](=[13CH2:5])[CH2:7][CH2:6][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:87906 chebi:87906	O-[S-3-oxo-(17Z,29Z-octatetracontadienoylpantetheine)-4'-phosphoryl]-L-serine residue 3-oxo-(17Z,29Z-C48:2-phosphopantetheine)-L-serine(1-) residue O-{S-[(17Z,29Z)-3-oxooctatetracontadienoylpantetheine]-4'-phosphoryl}-L-serine(1-) residue
metacyc.compound:cis-cis-D17-29-3-oxo-C48-2-ACPs metacycM:cis-cis-D17-29-3-oxo-C48-2-ACPs	a cis,cis-delta17,29-3-oxo-C48:2-[acp]
seed.compound:cpd28408 seedM:cpd28408	a cis,cis-delta17,29-3-oxo-C48:2-[acp] cis-cis-D17-29-3-oxo-C48-2-ACPs
seedM:M_cpd28408	secondary/obsolete/fantasy identifier