P0E

PHOSPHATIDYL ETHANOL

Created:	2005-04-29
Last modified:	2020-06-05

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1 entries where P0E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	122
Chiral Atom Count	2
Bond Count	121
Aromatic Bond Count	0

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Chemical Component Summary
Name	PHOSPHATIDYL ETHANOL
Synonyms	(2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE
Systematic Name (OpenEye OEToolkits)	[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-(hydroxy-(2-hydroxyethoxy)phosphoryl)oxy-propyl] (Z)-octadec-9-enoate
Formula	C₃₉ H₇₃ O₉ P
Molecular Weight	716.965
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(COP(=O)(OCCO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCC
SMILES	CACTVS	3.341	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCO)OC(=O)CCCCCCCC=CCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCO)OC(=O)CCCCCCCC=CCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC
InChI	InChI	1.03	InChI=1S/C39H73O9P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1
InChIKey	InChI	1.03	PGYPLYNHOCZJEB-JSTCSLLMSA-N

Drug Info: DrugBank

DrugBank ID	DB04752
Name	Phosphatidyl ethanol
Groups	experimental
Synonyms	Phosphatidyl ethanol PEth

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Steroidogenic factor 1	MDYSYDEDLDELCPVCGDKVSGYHYGLLTCESCKGFFKRTVQNNKHYTCT...	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