LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(t15:0(14Me)/21:0(2OH[R]))

Systematic Name

N-(2R-hydroxyheneicosanoyl)-4R-hydroxy-14-methyl-pentadecasphinganine

Synonyms

LM ID

LMSP02030033

Formula

C₃₇H₇₅NO₅

Exact Mass

Calculate m/z

613.564524

Sum Composition

Cer 37:0;O4

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

BSJHRSTZRSQQDP-NZKHRDNMSA-N

InChi (Click to copy)

InChI=1S/C37H75NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-35(41)37(43)38-33(31-39)36(42)34(40)29-26-23-21-18-19-22-25-28-32(2)3/h32-36,39-42H,4-31H2,1-3H3,(H,38,43)/t33-,34+,35+,36-/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCC(C)C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cystodytes dellechiajei (#260824)

Ascidiacea (#7713)

New lipids from the tunicate Cystodytes cf. dellechiajei, as PLA2 inhibitors.,
J Nat Prod, 2000

Pubmed ID: 10869204

Other Databases

PubChem CID

163107645

Calculated Physicochemical Properties

Heavy Atoms 43

Rings 0

Aromatic Rings 0

Rotatable Bonds 33

Van der Waals Molecular Volume 700.97

Topological Polar Surface Area 110.02

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 6

logP 10.19

Molar Refractivity 184.75

Admin

Created at

28th Aug 2019

Updated at