MQ7

MENAQUINONE-7

Created:	1999-07-08
Last modified:	2011-06-04

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37 entries where MQ7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	112
Chiral Atom Count	0
Bond Count	113
Aromatic Bond Count	6

2D diagram of MQ7

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Chemical Component Summary
Name	MENAQUINONE-7
Systematic Name (OpenEye OEToolkits)	2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3-methyl-naphthalene-1,4-dione
Formula	C₄₆ H₆₄ O₂
Molecular Weight	648.999
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
SMILES	CACTVS	3.341	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Canonical SMILES	CACTVS	3.341	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
InChI	InChI	1.03	InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
InChIKey	InChI	1.03	RAKQPZMEYJZGPI-LJWNYQGCSA-N

Drug Info: DrugBank

DrugBank ID	DB13075
Name	Menaquinone 7
Groups	investigational
Description	Menaquinone 7 is under investigation in clinical trial NCT00402974 (The Effect of Vitamin K Supplementation on Osteocalcin Carboxylation in Healthy Children).
Synonyms	Menaquinone-7 Menaquinone 7
Brand Names	YYUX Organic Liquid Vitamin D3 plus K2 Drops algeaSAN reg algeaSAN pro
Categories	Coagulants Diterpenes Hematologic Agents Hemostatics Naphthalenes Naphthoquinones Phytol Quinones Terpenes Vitamin K Vitamins Vitamins (Fat Soluble)
CAS number	2124-57-4

Related Resource References

Resource Name	Reference
PubChem	5287554
ChEMBL	CHEMBL1230575
ChEBI	CHEBI:44245

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.