LIPID MAPS

Structure Database (LMSD)

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Common Name

Scorodocarpine C

Systematic Name

N-(11Z-eicosenoyl)-5-hydroxytryptamine

Synonyms

N-gondoyl-serotonin

LM ID

LMFA08020445

Formula

C₃₀H₄₈N₂O₂

Exact Mass

Calculate m/z

468.371578

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Scorodocarpus borneensis (#48514)

Magnoliopsida (#3398)

New tryptamine derivatives isolated from wax of green coffee beans.,
J Agric Food Chem, 1980

Pubmed ID: 7462501

String Representations

InChiKey (Click to copy)

LMFYQBKLVUTGDP-KTKRTIGZSA-N

InChi (Click to copy)

InChI=1S/C30H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h9-10,20-21,24-25,32-33H,2-8,11-19,22-23H2,1H3,(H,31,34)/b10-9-

SMILES (Click to copy)

C(NC(CCCCCCCCC/C=C\CCCCCCCC)=O)CC1C2=CC(O)=CC=C2NC=1

Other Databases

PubChem CID

101159108

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 2

Aromatic Rings 2

Rotatable Bonds 20

Van der Waals Molecular Volume 504.78

Topological Polar Surface Area 65.12

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 8.48

Molar Refractivity 145.79

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Created at

23rd Sep 2024

Updated at