LIPID MAPS

Structure Database (LMSD)

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Common Name

Gambaoic acid B methyl ester

Systematic Name

Methyl 14-methyl-14,15-dihydroxyhexadecanoate

Synonyms

LM ID

LMFA07100023

Formula

C₁₈H₃₆O₄

Exact Mass

Calculate m/z

316.261361

Sum Composition

SFE 18:0;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

Reactions

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References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Bacillus sp. (in: firmicutes) (#1409)

Bacilli (#91061)

Four new hydroxyl fatty acids, gambaoic acids A-C and gambaoic B methyl ester, from Shrimp Jeotgal-derived Bacillus sp. SNB-066.,
J Antibiot (Tokyo), 2026

Pubmed ID: 41933253

DOI: 10.1038/s41429-026-00914-2

String Representations

InChiKey (Click to copy)

PPGOJJMHURRIPS-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C18H36O4/c1-16(19)18(2,21)15-13-11-9-7-5-4-6-8-10-12-14-17(20)22-3/h16,19,21H,4-15H2,1-3H3

SMILES (Click to copy)

C(C)(O)C(O)(C)CCCCCCCCCCCCC(=O)OC

Other Databases

PubChem CID

178328657

Calculated Physicochemical Properties

Heavy Atoms 22

Rings

Aromatic Rings

Rotatable Bonds 15

Van der Waals Molecular Volume 352.48

Topological Polar Surface Area 66.76

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 4.55

Molar Refractivity 90.75

Admin

Created at

13th Apr 2026

Updated at