8SP

O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine

Created:	2013-01-22
Last modified:	2013-02-08

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3 entries where 8SP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	76
Chiral Atom Count	2
Bond Count	75
Aromatic Bond Count	0

2D diagram of 8SP

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Chemical Component Summary
Name	O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-[[(2R)-2,3-di(octanoyloxy)propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
Formula	C₂₂ H₄₂ N O₁₀ P
Molecular Weight	511.543
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCC)CCCCCCC
SMILES	CACTVS	3.370	CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCC
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCC
Canonical SMILES	CACTVS	3.370	CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC
InChI	InChI	1.03	InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1
InChIKey	InChI	1.03	TWOCGGYLNFTSJO-MOPGFXCFSA-N

Related Resource References

Resource Name	Reference
PubChem	9547084
ChEBI	CHEBI:65246

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