SGF

(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside

Created:	2012-05-11
Last modified:	2021-03-01

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2 entries where SGF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	83
Chiral Atom Count	7
Bond Count	83
Aromatic Bond Count	0

2D diagram of SGF

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Chemical Component Summary
Name	(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside
Synonyms	Sphingosine-1-galactoside-3-sulfate
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
Formula	C₂₄ H₄₇ N O₁₀ S
Molecular Weight	541.696
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)OC1C(O)C(OC(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
SMILES	CACTVS	3.370	CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)N)O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)N)O
InChI	InChI	1.03	InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-33-24-22(29)23(35-36(30,31)32)21(28)20(16-26)34-24/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
InChIKey	InChI	1.03	BXSULSOCJNTUJS-YTBMLWRQSA-N

Related Resource References

Resource Name	Reference
PubChem	6540644
ChEBI	CHEBI:60372

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