T24

(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid

Created:	2007-10-05
Last modified:	2011-06-04

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1 entries where T24 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	50
Aromatic Bond Count	0

2D diagram of T24

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Chemical Component Summary
Name	(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
Systematic Name (OpenEye OEToolkits)	(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
Formula	C₁₈ H₃₀ O₃
Molecular Weight	294.429
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCCC/C=C\C=C\C(O)C\C=C/CC
SMILES	CACTVS	3.341	CCC=CC[CH](O)C=CC=CCCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCC=CCC(C=CC=CCCCCCCCC(=O)O)O
Canonical SMILES	CACTVS	3.341	CC\C=C/C[C@H](O)/C=C/C=C\CCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1
InChIKey	InChI	1.03	KLLGGGQNRTVBSU-FQSPHKRJSA-N

Related Resource References

Resource Name	Reference
PubChem	16061072
ChEBI	CHEBI:80442, CHEBI:84441

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.