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13-sophorosyloxydocosanoic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM8020

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₄H₆₄O₁₃

charge

mass

680.43469

reference

chebi:26723

InChIKey

OAKLJPBSRRDONB-FCILMWLFSA-N

InChI

InChI=1S/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/t23?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1

SMILES

CCCCCCCCCC(CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[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:26723 chebi:26723 lipidmaps:LMFA13020004 lipidmapsM:LMFA13020004	13-sophorosyloxydocosanoic acid 13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]docosanoic acid
kegg.compound:C18191 keggC:C18191	13-Sophorosyloxydocosanoic acid
seed.compound:cpd19461 seedM:cpd19461	13-Sophorosyloxydocosanoic acid 13-[O(2')-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate sophorosyloxydocosanoate
metacyc.compound:DIGLUCO-DOCOSANOATE metacycM:DIGLUCO-DOCOSANOATE	sophorosyloxydocosanoate 13-[O(2')-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate
keggC:M_C18191 seedM:M_cpd19461	secondary/obsolete/fantasy identifier