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

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oscr#24

	Properties	Image
MNX_ID	MNXM159073
reference	chebi:79146
formula	C₂₀H₃₈O₆
global charge	0
mol weight	374.518
InChIKey	ODXIHYQVXXYLQK-JRBPQWBISA-N
InChI	InChI=1S/C20H38O6/c1-16-17(21)15-18(22)20(26-16)25-14-12-10-8-6-4-2-3-5-7-9-11-13-19(23)24/h16-18,20-22H,2-15H2,1H3,(H,23,24)/t16-,17+,18+,20+/m0/s1
SMILES	C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C20H38O6/c1-16-17(21)15-18(22)20(26-16)25-14-12-10-8-6-4-2-3-5-7-9-11-13-19(23)24/h16-18,20-22H,2-15H2,1H3,(H,23,24)/t16-,17+,18+,20+/m0/s1
SMILES (mnx)	[CH3:1][C@H:16]1[C@H:17]([OH:21])[CH2:15][C@@H:18]([OH:22])[C@H:20]([O:25][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][C:19](=[O:23])[OH:24])[O:26]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:79146 chebi:79146 ODXIHYQVXXYLQK-JRBPQWBISA-N	oscr#24 14-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-tetradecanoic acid 14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradecanoic acid
CHEBI:140007 chebi:140007 ODXIHYQVXXYLQK-JRBPQWBISA-M	oscr#24(1-) 14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradecanoate
lipidmaps:LMFA13040078 lipidmapsM:LMFA13040078 ODXIHYQVXXYLQK-JRBPQWBISA-N	oscr#24 14-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-tetradecanoic acid 14-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-tetradecanoic acid