Structure database (LMSD)

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LM IDLMFA00000002
Common NameSerratamic acid
Systematic NameN-(3S-hydroxydecanoyl)-L-serine
Synonyms-
Exact Mass
275.1733 (neutral)    Calculate m/z:
FormulaC13H25NO5
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem Compound ID (CID)42607281
InChIKeyNDDJIMSGSZNACM-QWRGUYRKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H25NO5/c1-2-3-4-5-6-7-10(16)8-12(17)14-11(9-15)13(18)19/h10-11,15-16
H,2-9H2,1H3,(H,14,17)(H,18,19)/t10-,11-/m0/s1
SMILESC(O)[C@](C(O)=O)([H])NC(C[C@@H](O)CCCCCCC)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
283.13Topological Polar
Surface Area
106.86Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP1.52Molar
Refractivity
72.17