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1-(3-O-sulfo-beta-D-galactosyl)-N-(2R)-2-hydroxy-docosanoylsphingosine

Properties

Image

Occurences in reactions

MNX_ID

MNXM31018

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

formula

C₄₆H₈₈NO₁₂S

charge

-1

mass

878.60327

reference

chebi:75961

InChIKey

SONRUZAYRBQUDC-MXFRPCGWSA-M

InChI

InChI=1S/C46H89NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(50)45(53)47-38(39(49)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2)37-57-46-43(52)44(59-60(54,55)56)42(51)41(36-48)58-46/h32,34,38-44,46,48-52H,3-31,33,35-37H2,1-2H3,(H,47,53)(H,54,55,56)/p-1/b34-32+/t38-,39+,40+,41+,42-,43+,44-,46+/m0/s1

SMILES

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75961 chebi:75961	1-(3-O-sulfo-beta-D-galactosyl)-N-(2R)-2-hydroxy-docosanoylsphingosine (2S,3R,4E)-3-hydroxy-2-{[(2R)-2-hydroxydocosanoyl]amino}octadec-4-en-1-yl 3-O-sulfonato-beta-D-galactopyranoside 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1-) 2-hydroxydocosanoyl sulfatide(1-) 2-hydroxydocosanoylgalactosylceramide sulfate(1-)
lipidmaps:LMSP06020011 lipidmapsM:LMSP06020011	(3'-sulfo)Galbeta-Cer(d18:1/22:0(2OH)) C22(OH) Sulfatide N-(2-hydroxy-docosanoyl)-1-beta-(3'-sulfo)-glucosyl-sphing-4-enine O3 SHexCer 40:1
CHEBI:76067 chebi:76067	1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine (2R)-2-hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}docosanamide 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxydocosanoyl]sphingosine 2-hydroxydocosanoyl sulfatide 2-hydroxydocosanoylgalactosylceramide sulfate
CHEBI:83901 chebi:83901	N-(2-hydroxy-docosanoyl)-(3-O-sulfo-D-galactosyl)-sphing-4-enine (2S,3R,4E)-3-hydroxy-2-[(2-hydroxydocosanoyl)amino]octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside 2-OH-C22 galactosylceramide sulfate 3-O-sulfo-D-galactosyl-N-(2-hydroxydocosanoyl)sphing-4-enine N-(2-hydroxybehenoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1-)