LIPID MAPS

Structure Database (LMSD)

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Common Name

Chinensen A

Systematic Name

(S)-4-ethyl-1-geranylgeranyl malate

Synonyms

LM ID

LMPR0104010041

Formula

C₂₇H₄₄O₄

Exact Mass

Calculate m/z

432.32396

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

FAFCIHZTWSYNPD-XGFSHDBPSA-N

InChi (Click to copy)

InChI=1S/C27H44O4/c1-8-30-27(29)25(7)20-26(28)31-19-18-24(6)17-11-16-23(5)15-10-14-22(4)13-9-12-21(2)3/h12,14,16,18,25H,8-11,13,15,17,19-20H2,1-7H3/b22-14+,23-16+,24-18+/t25-/m0/s1

SMILES (Click to copy)

C(/C(/C)=C/COC(=O)C[C@H](C)C(=O)OCC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rhus chinensis (#289753)

Magnoliopsida (#3398)

Nine geranylgeranylated derivatives isolated from the roots of Rhus chinensis Mill.,
Phytochemistry, 2023

Pubmed ID: 36379319

Other Databases

PubChem CID

171116475

Calculated Physicochemical Properties

Heavy Atoms 31

Rings

Aromatic Rings

Rotatable Bonds 17

Van der Waals Molecular Volume 494.98

Topological Polar Surface Area 52.60

Hydrogen Bond Donors

Hydrogen Bond Acceptors 4

logP 7.83

Molar Refractivity 130.76

Admin

Created at

21st Dec 2022

Updated at