MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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O-(S-3R-hydroxybutanoylpantetheine-4'-phosphoryl)-L-serine residue

MNXM91793 is deprecated and here replaced by MNXM728725
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM728725
reference	chebi:78451
formula	C₁₈H₃₁N₃O₁₀PS*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@@H](C)O)C([])=O

MNX internals

InChI (mnx)	InChI=1/C20H38N3O10PS/c1-13(24)10-17(27)35-9-8-22-16(26)6-7-23-19(29)18(28)20(3,4)12-33-34(30,31)32-11-15(21-5)14(2)25/h13,15,18,21,24,28H,6-12H2,1-5H3,(H,22,26)(H,23,29)(H,30,31)/t13-,15+,18+/m1/s1/i2+1,5+1
SMILES (mnx)	[CH3:1][C@H:13]([CH2:10][C:17](=[O:27])[S:35][CH2:9][CH2:8][N:22]=[C:16]([CH2:6][CH2:7][N:23]=[C:19]([C@@H:18]([C:20]([CH3:3])([CH3:4])[CH2:12][O:33][P:34]([OH:30])(=[O:31])[O:32][CH2:11][C@@H:15]([C:14]([13CH3:2])=[O:25])[NH:21][13CH3:5])[OH:28])[OH:29])[OH:26])[OH:24]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78451 chebi:78451	O-(S-3R-hydroxybutanoylpantetheine-4'-phosphoryl)-L-serine residue O-(S-3R-hydroxybutanoylpantetheine-4'-phosphoryl)-L-serine(1-) residue O-(S-3R-hydroxybutyrylpantetheine-4'-phosphoryl)-L-serine(1-) residue O-[S-(3R)-hydroxybutanoylpantetheine-4'-phosphoryl]serine(1-) residue
SLM:000389704 slm:000389704	(3R)-hydroxybutanoyl-[ACP]
seed.compound:cpd22445 seedM:cpd22445	Beta-3-hydroxybutyryl-ACPs a (3R)-3-hydroxybutanoyl-[acp] a (R)-3-hydroxybutanoyl-[acyl-carrier-protein] a beta-3-hydroxybutyryl-[acp] a beta-3-hydroxybutyryl-[acyl-carrier-protein] an (R)-3-hydroxybutanoyl-[acp]
metacyc.compound:Beta-3-hydroxybutyryl-TYPE-I-FAS-ACPs metacycM:Beta-3-hydroxybutyryl-TYPE-I-FAS-ACPs	a (3R)-3-hydroxybutanoyl-[acp domain within a fatty acid synthase]
metacyc.compound:Beta-3-hydroxybutyryl-ACPs metacycM:Beta-3-hydroxybutyryl-ACPs	a (3R)-3-hydroxybutanoyl-[acp] a (R)-3-hydroxybutanoyl-[acyl-carrier-protein] a beta-3-hydroxybutyryl-[acp] a beta-3-hydroxybutyryl-[acyl-carrier-protein]
seedM:M_cpd22445	secondary/obsolete/fantasy identifier