YZY

(2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate

Created:	2012-12-17
Last modified:	2015-02-04

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7 entries where YZY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	112
Chiral Atom Count	1
Bond Count	111
Aromatic Bond Count	0

2D diagram of YZY

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Chemical Component Summary
Name	(2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate
Systematic Name (OpenEye OEToolkits)	[(2S)-2-hexadecanoyloxy-3-oxidanyl-propyl] (Z)-octadec-9-enoate
Formula	C₃₇ H₇₀ O₅
Molecular Weight	594.949
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCCCCCCCCCC
SMILES	CACTVS	3.370	CCCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCCCCCC
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCCC
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChI	InChI	1.03	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1
InChIKey	InChI	1.03	DOZKMFVMCATMEH-OZKTZCCCSA-N

Related Resource References

Resource Name	Reference
PubChem	5283471
ChEBI	CHEBI:75447

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