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O-(S-C35-(phenol)carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine residue

PropertiesImage
MNX_IDMNXM164642 Image of MNXM164642
referencechebi:142259
formulaC49H81N3O13PS*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)CCCCCCCCCCCCCCCCc1ccc(O)cc1)C([*])=O
MNX internals
InChI (mnx)InChI=1/C51H88N3O13PS/c1-38(23-21-22-26-44(58)35-43(57)25-20-18-16-14-12-10-8-7-9-11-13-15-17-19-24-41-27-29-42(56)30-28-41)47(60)39(2)50(63)69-34-33-53-46(59)31-32-54-49(62)48(61)51(4,5)37-67-68(64,65)66-36-45(52-6)40(3)55/h23,27-30,39,43-45,48,52,56-58,61H,7-22,24-26,31-37H2,1-6H3,(H,53,59)(H,54,62)(H,64,65)/b38-23+/t39?,43-,44-,45+,48+/m1/s1/i3+1,6+1 Image of MNXM164642
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:61][O:56][O:55][NH:53][NH:52][CH2:50][CH2:48][CH2:46][O:57][O:58][O:60][O:59][CH2:47][CH2:49][CH2:51][NH:54][O:63]1=[O:64][O:65]=[O:66]([SH:69])[O:67]=[P:68]1)[OH:62])[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
IdentifierDescription

CHEBI:142259
chebi:142259 		O-(S-C35-(phenol)carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine residue
O-(S-C35-(phenol)carboxyphthiodiolenoneylpantetheine-4'-phosphoryl)-L-serine(1-) residue

metacyc.compound:phenolcarboxyphthiodiolenone-PpsAE-PKS
metacycM:phenolcarboxyphthiodiolenone-PpsAE-PKS 		a C35-phenolcarboxyphthiodiolenone-[(phenol)carboxyphthiodiolenone synthase]

seed.compound:cpd37064
seedM:cpd37064 		phenolcarboxyphthiodiolenone-PpsAE-PKS

seedM:M_cpd37064 		secondary/obsolete/fantasy identifier