OLEOYL

Search structure


Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN

Structure


InChI Key	WRGQSWVCFNIUNZ-MDZDMXLPSA-N
Smile	CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O
InChI	InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H40NaO7P
Molecular Weight	458.51
AlogP	5.04
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	20.0
Polar Surface Area	113.29
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	29.0

Cross References

Resources	Reference
ChEMBL	CHEMBL189959
PubChem	5353734
SureChEMBL	SCHEMBL6359379
ChEMBL	CHEMBL191896
PubChem	5353734
SureChEMBL	SCHEMBL6359379

CONTENTS