HLO

1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM

Created:	2007-01-25
Last modified:	2011-06-04

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3 entries where HLO is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

2D diagram of HLO

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Chemical Component Summary
Name	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
Systematic Name (OpenEye OEToolkits)	1-[[2,4-bis[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
Formula	C₁₅ H₁₇ N₅ O₄
Molecular Weight	331.327
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N)c1cc[n+](cc1)COC[n+]2ccc(cc2\C=N\O)\C=N\O
SMILES	CACTVS	3.341	NC(=O)c1cc[n+](COC[n+]2ccc(C=NO)cc2C=NO)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2C=NO)C=NO
Canonical SMILES	CACTVS	3.341	NC(=O)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2\C=N\O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2\C=N\O)\C=N\O
InChI	InChI	1.03	InChI=1S/C15H15N5O4/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23/h1-9H,10-11H2,(H2-,16,21,22,23)/p+2
InChIKey	InChI	1.03	SODKCPHRJDOHMI-UHFFFAOYSA-P

Related Resource References

Resource Name	Reference
PubChem	135520674, 139031161, 108049, 135398751, 135666470, 6308540, 135889861, 6849545, 16214796, 138397604, 101601748, 135752462, 52947981
ChEMBL	CHEMBL1233344

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.