LIPID MAPS

Structure Database (LMSD)

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Common Name

Entadamide

Systematic Name

N-(2R-hydroxy-tricos-16E-enoyl)-4R-hydroxy-octadecasphinganine

Synonyms

(2S,2’R,3S,4R,16E)-N-[2′-hydroxytricos-16-enoyl]-2-amino-octadecane-1,3,4-triol

LM ID

LMSP02030094

Formula

C₄₁H₈₁NO₅

Exact Mass

Calculate m/z

667.611475

Sum Composition

Cer 41:1;O4

Abbrev Chains

Cer 18:0;O3/23:1;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Entada abyssinica (#204973)

Magnoliopsida (#3398)

Chemical profiling by UHPLC-Q-TOF-HRESI-MS/MS and antibacterial properties of Entada abyssinica (Fabaceae) constituents.,
Nat Prod Res, 2024

Pubmed ID: 37977828

String Representations

InChiKey (Click to copy)

YBINHFOOPIHYHL-MPSJVOSZSA-N

InChi (Click to copy)

InChI=1S/C41H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h13,15,37-40,43-46H,3-12,14,16-36H2,1-2H3,(H,42,47)/b15-13+/t37-,38+,39+,40-/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCC/C=C/CCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

Other Databases

PubChem CID

178330876

Calculated Physicochemical Properties

Heavy Atoms 47

Rings

Aromatic Rings

Rotatable Bonds 37

Van der Waals Molecular Volume 767.53

Topological Polar Surface Area 110.02

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 6

logP 11.67

Molar Refractivity 203.19

Admin

Created at

10th Jun 2025

Updated at