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2-O-palmitoyl-3-O-stearoyl-2'-O-sulfo-alpha,alpha-trehalose

Properties

Image

Occurences in reactions

MNX_ID

MNXM150628

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

formula

C₄₆H₈₅O₁₆S

charge

-1

mass

925.55638

reference

chebi:84347

InChIKey

XNPWCOIPZGRNBQ-HUWVXOONSA-M

InChI

InChI=1S/C46H86O16S/c1-3-5-7-9-11-13-15-17-18-20-22-23-25-27-29-31-37(49)59-42-40(52)36(34-48)58-46(61-45-43(62-63(54,55)56)41(53)39(51)35(33-47)57-45)44(42)60-38(50)32-30-28-26-24-21-19-16-14-12-10-8-6-4-2/h35-36,39-48,51-53H,3-34H2,1-2H3,(H,54,55,56)/p-1/t35-,36-,39-,40-,41+,42+,43-,44-,45-,46-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@@H]1OC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84347 chebi:84347	2-O-palmitoyl-3-O-stearoyl-2'-O-sulfo-alpha,alpha-trehalose 2-O-hexadecanoyl-3-O-octadecanoyl-alpha-D-glucopyranosyl 2-O-sulfonato-alpha-D-glucopyranoside 2-hexadecanoyl-3-octadecanoyl-2'-sulfo-alpha,alpha-trehalose(1-) 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose(1-)
CHEBI:85345 chebi:85345	2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose 2-O-hexadecanoyl-3-O-octadecanoyl-alpha-D-glucopyranosyl 2-O-sulfo-alpha-D-glucopyranoside 2-O-palmitoyl-3-O-stearoyl-2'-O-sulfo-alpha,alpha-trehalose 2-hexadecanoyl-3-octadecanoyl-2'-sulfo-alpha,alpha-trehalose