Structure Database (LMSD)

Common Name
Myxoquinone-861
Systematic Name
2-hydroxy-2-methyl-3-[(2E,6E,7R,11R)-3,7,11,15,19,23,27,31,35-nonamethyl-11,15,19,23,27,31,35-heptahydroxy-hexatriaconta-2,6-dien-1-yl]-2,3-dihydro-1,4-naphthoquinone
Synonyms
LM ID
LMPR02030035
Formula
C56H96O10
Exact Mass
Calculate m/z
928.70035
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Vitamin K [PR0203]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Myxococcaceae (#436400)
Myxococcia (#32015)
Myxobacteria of the Cystobacterineae Suborder Are Producers of New Vitamin K2 Derived Myxoquinones.,
Microorganisms, 2022
Pubmed ID: 35336107

String Representations

InChiKey (Click to copy)
NUEUGNKRKUOCEH-IHHHWWFQSA-N
InChi (Click to copy)
InChI=1S/C56H96O10/c1-42(22-14-23-43(2)27-28-46-47(57)44-25-12-13-26-45(44)48(58)56(46,11)66)24-15-30-50(5,60)32-17-34-52(7,62)36-19-38-54(9,64)40-21-41-55(10,65)39-20-37-53(8,63)35-18-33-51(6,61)31-16-29-49(3,4)59/h12-13,22,25-27,46,59-66H,14-21,23-24,28-41H2,1-11H3/b42-22+,43-27+
SMILES (Click to copy)
C1(=O)C(O)(C)C(C/C=C(\C)/CC/C=C(\C)/CCCC(O)(C)CCCC(O)(CCCC(O)(CCCC(O)(CCCC(CCCC(O)(C)CCCC(O)(C)C)(C)O)C)C)C)C(=O)C2C=CC=CC1=2

Other Databases

PubChem CID
171120627

Calculated Physicochemical Properties

Heavy Atoms 66
Rings 2
Aromatic Rings 1
Rotatable Bonds 33
Van der Waals Molecular Volume 1011.16
Topological Polar Surface Area 195.98
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 10
logP 13.26
Molar Refractivity 271.68

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Created at
11th Apr 2022
Updated at
11th Apr 2022