LIPID MAPS

Structure Database (LMSD)

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Common Name

Chromomoric acid

Systematic Name

8-[5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid

Synonyms

15(Z)-12-oxo,13-hydroxy-10,15-phytodienoic acid

LM ID

LMFA02010024

Formula

C₁₈H₂₈O₄

Exact Mass

Calculate m/z

308.19876

Sum Composition

FA 18:4;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Chromolaena morii (#1745037)

Magnoliopsida (#3398)

Prostaglandin-like fatty acid derivative from Chromolaena morii,
Phytochemistry, 1981

DOI: 10.1016/0031-9422(81)80052-0

String Representations

InChiKey (Click to copy)

JTVFMTUJWPGXRA-OQFOIZHKSA-N

InChi (Click to copy)

InChI=1S/C18H28O4/c1-2-3-9-14-18(22)15(12-13-16(18)19)10-7-5-4-6-8-11-17(20)21/h3,9,12-13,15,22H,2,4-8,10-11,14H2,1H3,(H,20,21)/b9-3-

SMILES (Click to copy)

C(CCCCCCC(=O)O)C1C=CC(=O)C1(O)C/C=C\CC

Other Databases

PubChem CID

12094983

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 1

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 332.20

Topological Polar Surface Area 74.60

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 3.93

Molar Refractivity 87.10

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Created at

1st Mar 2023

Updated at