HGP

(1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE

Created:	2004-02-13
Last modified:	2011-06-04

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1 entries where HGP is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	125
Chiral Atom Count	2
Bond Count	124
Aromatic Bond Count	0

2D diagram of HGP

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Chemical Component Summary
Name	(1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE
Systematic Name (OpenEye OEToolkits)	2-[[(2R)-3-hexadecanoyloxy-2-tetradecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
Formula	C₃₈ H₇₇ N O₈ P
Molecular Weight	706.994
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C38H76NO8P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39(3,4)5)47-38(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1
InChIKey	InChI	1.03	UIXXHROAQSBBOV-PSXMRANNSA-O

Related Resource References

Resource Name	Reference
PubChem	5313160

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