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

Feedback

oscr#28

	Properties	Image
MNX_ID	MNXM159077
reference	chebi:79150
formula	C₂₂H₄₂O₆
global charge	0
mol weight	402.572
InChIKey	RARJQAOGTFMPFZ-GPQLQYNLSA-N
InChI	InChI=1S/C22H42O6/c1-18-19(23)17-20(24)22(28-18)27-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21(25)26/h18-20,22-24H,2-17H2,1H3,(H,25,26)/t18-,19+,20+,22+/m0/s1
SMILES	C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C22H42O6/c1-18-19(23)17-20(24)22(28-18)27-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21(25)26/h18-20,22-24H,2-17H2,1H3,(H,25,26)/t18-,19+,20+,22+/m0/s1
SMILES (mnx)	[CH3:1][C@H:18]1[C@H:19]([OH:23])[CH2:17][C@@H:20]([OH:24])[C@H:22]([O:27][CH2:16][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][CH2:15][C:21](=[O:25])[OH:26])[O:28]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:79150 chebi:79150 RARJQAOGTFMPFZ-GPQLQYNLSA-N	oscr#28 16-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-hexadecanoic acid 16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexadecanoic acid
CHEBI:140019 chebi:140019 RARJQAOGTFMPFZ-GPQLQYNLSA-M	oscr#28(1-) 16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexadecanoate
lipidmaps:LMFA13040072 lipidmapsM:LMFA13040072 RARJQAOGTFMPFZ-GPQLQYNLSA-N	oscr#28 16-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-hexadecanoic acid 16-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-hexadecanoic acid