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

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

Feedback

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

	Properties	Image
MNX_ID	MNXM725967
reference	chebi:78487
formula	C₃₂H₅₇N₃O₁₀PS*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)CCCCCCCCCCCCCCC)C([])=O

MNX internals

InChI (mnx)	InChI=1/C34H64N3O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(39)24-31(41)49-23-22-36-30(40)20-21-37-33(43)32(42)34(3,4)26-47-48(44,45)46-25-29(35-5)27(2)38/h29,32,35,42H,6-26H2,1-5H3,(H,36,40)(H,37,43)(H,44,45)/t29-,32-/m0/s1/i2+1,5+1
SMILES (mnx)	[CH2:1]([13CH2:2][CH2:22][C:30]([CH2:31][C:33]([CH2:34][NH:35][NH:36][NH:37][O:38][S:49][O:47][O:46][PH:48][O:39][O:40][O:41][O:42][O:43][OH:44])=[O:45])=[CH2:32])[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][CH: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)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78487 chebi:78487	O-(S-3-oxooctadecanoylpantetheine-4'-phosphoryl)-L-serine residue O-(S-3-oxooctadecanoylpantetheine-4'-phosphoryl)-L-serine(1-) residue O-(S-3-oxooctadecanoylpantetheine-4'-phosphoryl)serine(1-) residue O-(S-3-oxostearoylpantetheine-4'-phosphoryl)-L-serine(1-) residue
SLM:000389851 slm:000389851	3-oxooctadecanoyl-[ACP]
metacyc.compound:3-oxo-octadecanoyl-TYPE-I-FAS-ACPs metacycM:3-oxo-octadecanoyl-TYPE-I-FAS-ACPs	a 3-oxooctadecanoyl-[acp domain within a fatty acid synthase]
metacyc.compound:3-oxo-stearoyl-ACPs metacycM:3-oxo-stearoyl-ACPs	a 3-oxooctadecanoyl-[acp] a 3-ketooctadecanoyl-[acp] a 3-ketooctadecanoyl-[acyl-carrier protein] a 3-ketostearoyl-[acp] a 3-ketostearoyl-[acyl-carrier protein] a 3-oxooctadecanoyl-[acyl-carrier protein] a 3-oxostearoyl-[acp] a 3-oxostearoyl-[acyl-carrier protein]