A6L

2,3-dihydroxypropyl (9Z)-octadec-9-enoate

Created:	2018-10-02
Last modified:	2020-06-05

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7 entries where A6L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	0

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Chemical Component Summary
Name	2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Synonyms	monoolein
Systematic Name (OpenEye OEToolkits)	2,3-bis(oxidanyl)propyl (~{Z})-octadec-9-enoate
Formula	C₂₁ H₄₀ O₄
Molecular Weight	356.54
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(OCC(CO)O)=O)CCCCCC\C=C/CCCCCCCC
SMILES	CACTVS	3.385	CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CO
SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Canonical SMILES	CACTVS	3.385	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
InChI	InChI	1.03	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChIKey	InChI	1.03	RZRNAYUHWVFMIP-KTKRTIGZSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB13171
Name	Glyceryl 1-oleate
Groups	experimental
Synonyms	1-monoolein 1-monooleoylglycerol 1-Glyceryl oleate 9-Octadecenoic acid, 2,3-dihydroxypropyl ester Glyceryl oleate Glyceryl monooleate MG (18:1/0:0/0:0) 2,3-dihydroxypropyl oleate 1-oleoyl-rac-glycerol Glyceryl 1-oleate 1-oleoylglycerol 1-(9Z)-octadecenoylglycerol Monoolein 1-(9Z-octadecenoyl)-rac-glycerol 1-monooleoyl-rac-glycerol
Categories	Lipids
CAS number	111-03-5

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Glucose-dependent insulinotropic receptor	MESSFSFGVILAVLASLIIATNTLVAVAVLLLIHKNDGVSLCFTLNLAVA...	unknown	agonist

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