AGA

(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE

Created:	2003-08-21
Last modified:	2020-06-05

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12 entries where AGA is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	66
Chiral Atom Count	2
Bond Count	65
Aromatic Bond Count	0

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Chemical Component Summary
Name	(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
Synonyms	PHOSPHATIDYL GLYCEROL
Systematic Name (OpenEye OEToolkits)	[(2S)-2,3-dihydroxypropyl] [(2R)-2-octanoyloxy-3-pentanoyloxy-propyl] phosphate
Formula	C₁₉ H₃₆ O₁₀ P
Molecular Weight	455.457
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCC)CCCCCCC
SMILES	CACTVS	3.385	CCCCCCCC(=O)O[CH](COC(=O)CCCC)CO[P]([O-])(=O)OC[CH](O)CO
SMILES	OpenEye OEToolkits	1.7.5	CCCCCCCC(=O)OC(COC(=O)CCCC)COP(=O)([O-])OCC(CO)O
Canonical SMILES	CACTVS	3.385	CCCCCCCC(=O)O[C@H](COC(=O)CCCC)CO[P]([O-])(=O)OC[C@@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.5	CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O
InChI	InChI	1.03	InChI=1S/C19H37O10P/c1-3-5-7-8-9-11-19(23)29-17(14-26-18(22)10-6-4-2)15-28-30(24,25)27-13-16(21)12-20/h16-17,20-21H,3-15H2,1-2H3,(H,24,25)/p-1/t16-,17+/m0/s1
InChIKey	InChI	1.03	UQSXQYRZHMGKIE-DLBZAZTESA-M

Drug Info: DrugBank

DrugBank ID	DB07349
Name	(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE
Groups	experimental
Synonyms	(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE

Drug Targets

Name	Target Sequence	Pharmacological Action
Respiratory nitrate reductase 1 alpha chain	MSKFLDRFRYFKQKGETFADGHGQLLNTNRDWEDGYRQRWQHDKIVRSTH...	unknown
Respiratory nitrate reductase 1 beta chain	MKIRSQVGMVLNLDKCIGCHTCSVTCKNVWTSREGVEYAWFNNVETKPGQ...	unknown
Respiratory nitrate reductase 1 gamma chain	MQFLNMFFFDIYPYIAGAVFLIGSWLRYDYGQYTWRAASSQMLDRKGMNL...	unknown
Aquaporin Z	MFRKLAAECFGTFWLVFGGCGSAVLAAGFPELGIGFAGVALAFGLTVLTM...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682