LIPID MAPS

Structure Database (LMSD)

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Common Name

6(Z)-10,13-DiHOME

Systematic Name

10,13-dihydroxyoctadec-6Z-enoic acid

Synonyms

LM ID

LMFA02000426

Formula

C₁₈H₃₄O₄

Exact Mass

Calculate m/z

314.24571

Sum Composition

FA 18:1;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Oxylipin Standard

String Representations

InChiKey (Click to copy)

YVSPHCQQMKRCNG-XQRVVYSFSA-N

InChi (Click to copy)

InChI=1S/C18H34O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h4,6,16-17,19-20H,2-3,5,7-15H2,1H3,(H,21,22)/b6-4-

SMILES (Click to copy)

C(CCCC/C=C\CCC(O)CCC(O)CCCCC)(=O)O

Other Databases

PubChem CID

91826743

Calculated Physicochemical Properties

Heavy Atoms 22

Rings

Aromatic Rings

Rotatable Bonds 15

Van der Waals Molecular Volume 349.84

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 4.62

Molar Refractivity 90.89

Admin

Created at

26th Nov 2024

Updated at