PDB Chemical Component MQ8

Ideal Model

Chemical Description

Name MENAQUINONE 8
Synonyms 2-METHYL-3-(3,7,11,15,19,23,27,31-OCTAMETHYL-DOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL)-[1,4]NAPTHOQUINONE
Formula C51 H72 O2
Formal charge 0
Molecular weight 717.116 g/mol
Component type NON-POLYMER

Chemical features

Atom count 125
Chiral atom count 0
Bond count 126
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) 2-methyl-3-[(2E,6E,10E,14E,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]naphthalene-1,4-dione
Systematic name (OpenEye OEToolkits) 2-methyl-3-[(2E,6E,10E,14E,18Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione

Chemical Descriptors

Stereo SMILES (CACTVS) CC(C)=CCC/C(C)=C/CCC(/C)=C/CCC(\C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
SMILES (CACTVS) CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
Stereo SMILES (OpenEye) 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)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C
InChI descriptor InChI=1/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3/b39-22+,40-24+,41-26-,42-28+,43-30+,44-32+,45-36+
InChIKey descriptor LXKDFTDVRVLXFY-ACMRXAIVBP

Status Information

Last modified 2008-10-14
Created 2000-05-18
Release status REL
Model PDB code 1EYS
Processing site RCSB