A1H52

7.10 monoacylglycerol (R-form)

Created:	2024-03-11
Last modified:	2024-04-03

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2 entries where A1H52 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	1
Bond Count	61
Aromatic Bond Count	0

2D diagram of A1H52

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Chemical Component Summary
Name	7.10 monoacylglycerol (R-form)
Synonyms	[(2R)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate
Systematic Name (OpenEye OEToolkits)	[(2~{R})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate
Formula	C₂₀ H₃₈ O₄
Molecular Weight	342.513
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCC=CCCCCCC(=O)OCC(CO)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCC/C=C/CCCCCC(=O)OC[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCC/C=C/CCCCCC(=O)OC[C@@H](CO)O
InChI	InChI	1.06	InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m1/s1
InChIKey	InChI	1.06	XTALOCBNHVPVKU-GNISGLHKSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.