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13-(beta-D-glucosyloxy)docosanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3788

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₈H₅₃O₈

charge

-1

mass

517.37459

reference

chebi:36487

InChIKey

MVSYTBQOJXSHFZ-SFOFOFCKSA-M

InChI

InChI=1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/p-1/t22?,23-,25-,26+,27-,28-/m1/s1

SMILES

CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:36487 chebi:36487	13-(beta-D-glucosyloxy)docosanoate 13-(beta-D-glucopyranosyloxy)docosanoate 13-beta-D-Glucosyloxydocosanoate
CHEBI:36486 chebi:36486 lipidmaps:LMFA13010054 lipidmapsM:LMFA13010054	13-(beta-D-glucosyloxy)docosanoic acid 13-(beta-D-glucopyranosyloxy)docosanoic acid
kegg.compound:C04103 keggC:C04103	13-beta-D-Glucosyloxydocosanoate
seed.compound:cpd02534 seedM:cpd02534	13-beta-D-Glucosyloxydocosanoate 13-[beta-D-glucopyranosyloxy]docosanoate 13-beta-D-glucosyloxydocosanoate
metacyc.compound:CPD-803 metacycM:CPD-803	13-beta-D-glucosyloxydocosanoate 13-[beta-D-glucopyranosyloxy]docosanoate
chebi:11319 chebi:17887 chebi:19149 chebi:752 keggC:M_C04103 seedM:M_cpd02534	secondary/obsolete/fantasy identifier