Structure Database (LMSD)

O HO OH H O N H O O
Common Name
N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine
Systematic Name
N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine
Synonyms
LM ID
LMFA00000005
Formula
C37H71NO6
Exact Mass
Calculate m/z
625.528139
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
WTGXHHUORCSXNB-DNKZHYAASA-N
InChi (Click to copy)
InChI=1S/C37H71NO6/c1-31(2)25-21-17-13-9-6-5-7-12-16-20-24-28-36(41)44-33(29-35(40)38-34(30-39)37(42)43)27-23-19-15-11-8-10-14-18-22-26-32(3)4/h31-34,39H,5-30H2,1-4H3,(H,38,40)(H,42,43)/t33?,34-/m0/s1
SMILES (Click to copy)
CC(C)CCCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCC(C)C)CC(=O)N[C@@]([H])(CO)C(O)=O

References

Other Databases

PubChem CID
42607283

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 704.48
Topological Polar Surface Area 112.93
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 10.38
Molar Refractivity 183.15

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Created at
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Updated at
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