Structure Database (LMSD)

Common Name
N-[3-(13-methyl-tetradecanoyl)-15-methyl-hexadecanoyl] glycine
Systematic Name
N-[3-(13-methyl-tetradecanoyl)-15-methyl-hexadecanoyl] glycine
Synonyms
LM ID
LMFA08020229
Formula
C34H65NO5
Exact Mass
Calculate m/z
567.486274
Sum Composition
NA 34:2;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cyclobacterium marinum (#104)
Cytophagia (#768503)
A glycine-containing phosphorus-free lipoaminoacid from the Gram-negative marine bacterium Cyclobacterium marinus WH,
Chem. Phys. Lipids, 1999

String Representations

InChiKey (Click to copy)
OYOGBQCTBJMFBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H65NO5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(36)35-28-33(37)38)40-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H,35,36)(H,37,38)
SMILES (Click to copy)
OC(CNC(CC(OC(CCCCCCCCCCCC(C)C)=O)CCCCCCCCCCCC(C)C)=O)=O

Other Databases

PubChem CID
10347972

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 643.79
Topological Polar Surface Area 92.70
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 9.95
Molar Refractivity 167.39

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Created at
-
Updated at
8th Apr 2021