SPH

SPHINGOSINE

Created:	1999-07-08
Last modified:	2011-06-04

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89 entries where SPH is found as a standalone ligand7 entries where SPH is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	2
Bond Count	57
Aromatic Bond Count	0

2D diagram of SPH

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Chemical Component Summary
Name	SPHINGOSINE
Systematic Name (OpenEye OEToolkits)	(2R,3S)-2-aminooctadec-4-ene-1,3-diol
Formula	C₁₈ H₃₇ N O₂
Molecular Weight	299.492
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCC(N)C(O)\C=C/CCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCC=CC(C(CO)N)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCC\C=C/[C@H](O)[C@H](N)CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O
InChI	InChI	1.03	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/t17-,18+/m1/s1
InChIKey	InChI	1.03	WWUZIQQURGPMPG-MSOLQXFVSA-N

Related Resource References

Resource Name	Reference
PubChem	444299

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