Structure Database (LMSD)

Common Name
Commendamide
Systematic Name
N-(3-Hydroxyhexadecanoyl) glycine
Synonyms
LM ID
LMFA08020331
Status
Active
Exact Mass
Calculate m/z
329.256609
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
MZUHHHSFDVDBCZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)14-17(21)19-15-18(22)23/h16,20H,2-15H2,1H3,(H,19,21)(H,22,23)
SMILES (Click to copy)
C(CC(O)CCCCCCCCCCCCC)(=O)NCC(=O)O

References

Reference
Functional metagenomic discovery of bacterial effectors in the human microbiome and isolation of commendamide, a GPCR G2A/132 agonist.
Proc Natl Acad Sci U S A, 2015
DOI: 10.1073/pnas.1508737112
PMID: 26283367

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phocaeicola vulgatus (#821)
Bacteroidia (#200643)
Functional metagenomic discovery of bacterial effectors in the human microbiome and isolation of commendamide, a GPCR G2A/132 agonist.,
Proc Natl Acad Sci U S A, 2015
Pubmed ID: 26283367

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 360.84
Topological Polar Surface Area 86.63
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.21
Molar Refractivity 93.35

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Created at
6th May 2021
Updated at
6th May 2021