Structure Database (LMSD)

Common Name
N-[3-(13-methyl-tetradecanoyloxy)-13-methyl-hexadecanoyl] glycyl serine
Systematic Name
N-[3-(13-methyl-tetradecanoyloxy)-13-methyl-hexadecanoyl] glycyl serine
Synonyms
  • Flavolipin
LM ID
LMFA08020231
Formula
C37H70N2O7
Exact Mass
Calculate m/z
654.518303
Status
Active
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]
Hydroxy fatty acids [FA0105]

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)
DZKPDDDIBSEKLY-OBOZPERJSA-N
InChi (Click to copy)
InChI=1S/C37H70N2O7/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(27-34(41)38-28-35(42)39-33(29-40)37(44)45)46-36(43)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-33,40H,5-29H2,1-4H3,(H,38,41)(H,39,42)(H,44,45)/t32?,33-/m0/s1
SMILES (Click to copy)
C(C(=O)N[C@H](C(O)=O)CO)NC(CC(OC(CCCCCCCCCCCC(C)C)=O)CCCCCCCCCCCC(C)C)=O

Other Databases

PubChem CID
53787314

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 721.63
Topological Polar Surface Area 142.03
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 9.00
Molar Refractivity 187.41

Admin

Created at
-
Updated at
8th Apr 2021