Structure Database (LMSD)

Common Name
Maoleiferacid C
Systematic Name
9S,10R-dihydroxy-tetradeca-5,7-diynoic acid
Synonyms
LM ID
LMFA01050621
Formula
Exact Mass
Calculate m/z
252.13616
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Malania oleifera (#397392)
Magnoliopsida (#3398)
Discovery of anti-adipogenic acetylenic acids from Malaina oleifera seed meal.,
Fitoterapia, 2026
Pubmed ID: 41871788

String Representations

InChiKey (Click to copy)
DGOWLXGVVUQUNU-OLZOCXBDSA-N
InChi (Click to copy)
InChI=1S/C14H20O4/c1-2-3-9-12(15)13(16)10-7-5-4-6-8-11-14(17)18/h12-13,15-16H,2-3,6,8-9,11H2,1H3,(H,17,18)/t12-,13+/m1/s1
SMILES (Click to copy)
C(CCCC#CC#C[C@H](O)[C@H](O)CCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 18
Rings
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 272.72
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 1.73
Molar Refractivity 69.60

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Created at
27th Aug 2026
Updated at
27th Aug 2026