LNK

PENTANE

Created:	2001-05-15
Last modified:	2024-09-27

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25 entries where LNK is found as a standalone ligand5 entries where LNK is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of LNK

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Chemical Component Summary
Name	PENTANE
Systematic Name (OpenEye OEToolkits)	pentane
Formula	C₅ H₁₂
Molecular Weight	72.149
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	CCCCC
SMILES	CACTVS	3.341	CCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCC
Canonical SMILES	CACTVS	3.341	CCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC
InChI	InChI	1.03	InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKey	InChI	1.03	OFBQJSOFQDEBGM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8003
ChEMBL	CHEMBL16102
ChEBI	CHEBI:37830
CCDC/CSD	AXUXAU, BEFMEF, BEFFAV, ALOHUF, AMUTAE, ALAZIW, BOBFOP, AYUSIW, ALOJAN, BIKWOI, ASIBIO, BAFHOF, BAFMUR, BAFMOL, ALOJER, ACAQON, ASAHAE, BABPUR, BIBMIL, AVECEK, ARACUS, BAFNAY, BEHWAM, BEFPAD, AVAYIG, AVECAG, BEQKEO, AQEQUI, AKAFEY, AFUCAG, BEQKOZ, ABIMAB, BADRII, BANBOI, BAYREY, BEYNEZ, ADIFUO, AMOYUY, AXIBUE, BAJQAG, BADXIQ, AWIBEN, ACEGOE, BEKXIA, AROKOJ, ATINID, ANIGEM, ANIDEJ, BAFPAD

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.