LM8

(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid

Created:	2014-11-26
Last modified:	2021-03-13

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1 entries where LM8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	1
Bond Count	56
Aromatic Bond Count	0

2D diagram of LM8

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Chemical Component Summary
Name	(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid
Synonyms	(5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid
Systematic Name (OpenEye OEToolkits)	(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid
Formula	C₂₁ H₃₄ O₂
Molecular Weight	318.493
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCC\C=C/C\C=C/C\C=C/C(\C=C/CCCCC)C
SMILES	CACTVS	3.385	CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)O
Canonical SMILES	CACTVS	3.385	CCCCC\C=C/[C@H](C)/C=C\C\C=C/C\C=C/CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI	InChI	1.03	InChI=1S/C21H34O2/c1-3-4-5-11-14-17-20(2)18-15-12-9-7-6-8-10-13-16-19-21(22)23/h7-10,14-15,17-18,20H,3-6,11-13,16,19H2,1-2H3,(H,22,23)/b9-7-,10-8-,17-14-,18-15-/t20-/m0/s1
InChIKey	InChI	1.03	PIZRMBAQQYSBSA-URRNNGNDSA-N

Related Resource References

Resource Name	Reference
PubChem	87057572

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.