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6-O-sulfo-beta-D-galactosyl-(1<->1)-sphing-4-enine

MNXM7718 is deprecated and here replaced by MNXM740114
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM740114

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₂₄H₄₇NO₁₀S

charge

mass

541.29207

reference

chebi:58170

InChIKey

UIEYIJKBVSNMMH-PIIMIWFASA-N

InChI

InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1

SMILES

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](COS(=O)(=O)[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:58170 chebi:58170	6-O-sulfo-beta-D-galactosyl-(1<->1)-sphing-4-enine (2S,3R,4E)-2-azaniumyl-3-hydroxyoctadec-4-en-1-yl 6-O-sulfonato-beta-D-galactopyranoside psychosine sulfate zwitterion
bigg.metabolite:C02744 biggM:C02744 kegg.compound:C02744 keggC:C02744	Psychosine sulfate
seed.compound:cpd01778 seedM:cpd01778	Psychosine sulfate psychosine sulfate
metacyc.compound:CPD-518 metacycM:CPD-518	psychosine sulfate
CHEBI:17507 chebi:17507	psychosine sulfate (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 6-O-sulfo-beta-D-galactopyranoside (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside 6-(hydrogen sulfate) Psychosine sulfate
lipidmaps:LMSP08000002 lipidmapsM:LMSP08000002	psychosine sulfate (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 6-O-sulfo-beta-D-galactopyranoside (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside 6-(hydrogen sulfate) Psychosine sulfate psychosine sulfate
chebi:14967 chebi:26371 chebi:8620 biggM:M_C02744 keggC:M_C02744 seedM:M_cpd01778	secondary/obsolete/fantasy identifier