LIPID MAPS

Structure Database (LMSD)

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Systematic Name

8,11,12-trihydroxy-9-heptadecenoic acid

Synonyms

LM ID

LMFA01050614

Formula

C₁₇H₃₂O₅

Exact Mass

Calculate m/z

316.224976

Sum Composition

FA 17:1;O3

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Bos taurus (#9913)

Mammalia (#40674)

Formation of trihydroxyheptadecenoic acids, monohydroxyicosatrienoic acids, and prostaglandins from 8,11,14-icosatrienoic acid by adult and fetal aorta.,
J Biol Chem, 1982

Pubmed ID: 7202002

String Representations

InChiKey (Click to copy)

YSAMHTVEOVVXOT-OUKQBFOZSA-N

InChi (Click to copy)

InChI=1S/C17H32O5/c1-2-3-6-10-15(19)16(20)13-12-14(18)9-7-4-5-8-11-17(21)22/h12-16,18-20H,2-11H2,1H3,(H,21,22)/b13-12+

SMILES (Click to copy)

C(CCCCCCC(O)/C=C/C(O)C(O)CCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 22

Rings

Aromatic Rings

Rotatable Bonds 14

Van der Waals Molecular Volume 341.33

Topological Polar Surface Area 97.99

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 3.49

Molar Refractivity 88.18

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Created at

14th Aug 2025

Updated at