Feedback

13-sophorosyloxydocosanoate 6',6''-diacetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM9697

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

formula

C₃₈H₆₈O₁₅

charge

mass

764.45582

reference

chebi:51078

InChIKey

LGIFCELMJBBHMO-SGQFWHNCSA-N

InChI

InChI=1S/C38H68O15/c1-4-5-6-7-11-14-17-20-27(21-18-15-12-9-8-10-13-16-19-22-30(41)42)50-38-36(34(46)32(44)29(52-38)24-49-26(3)40)53-37-35(47)33(45)31(43)28(51-37)23-48-25(2)39/h27-29,31-38,43-47H,4-24H2,1-3H3,(H,41,42)/t27?,28-,29-,31-,32-,33+,34+,35-,36-,37+,38-/m1/s1

SMILES

CCCCCCCCCC(CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[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:51078 chebi:51078	13-sophorosyloxydocosanoate 6',6''-diacetate 13-((2'-O beta-D-glucopyranosyl beta-D-glucopyranosyl)oxy)docosanoic acid 6',6''-diacetate 13-{[6-O-acetyl-2-O-(6-O-acetyl-beta-D-glucopyranosyl)-beta-D- glucopyranosyl]oxy}docosanoic acid 13-{[6-O-acetyl-2-O-(6-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}docosanoic acid hydroxydocosanoic acid sophoroside sophorosyloxydocosanoate
seed.compound:cpd26861 seedM:cpd26861	13-[O(2')-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate O(6'),O(6'')-diacetate 13-sophorosyloxydocosanoate 6',6''-diacetate 13-sophorosyloxydocosanoate diacetate
lipidmaps:LMFA13020003 lipidmapsM:LMFA13020003	13-sophorosyloxydocosanoate 6',6''-diacetate 13-((2'-O beta-D-glucopyranosyl beta-D-glucopyranosyl)oxy)docosanoic acid 6',6''-diacetate 13-{[6-O-acetyl-2-O-(6-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}docosanoic acid hydroxydocosanoic acid sophoroside
metacyc.compound:DIGLUCODIACETYL-DOCOSANOATE metacycM:DIGLUCODIACETYL-DOCOSANOATE	13-sophorosyloxydocosanoate 6',6''-diacetate 13-[O(2')-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate O(6'),O(6'')-diacetate 13-sophorosyloxydocosanoate diacetate
chebi:64625 seedM:M_cpd26861	secondary/obsolete/fantasy identifier