LIPID MAPS

Structure Database (LMSD)

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Common Name

Cer(t18:0/31:0)

Systematic Name

N-(hentriacontanoyl)-4R-hydroxysphinganine

Synonyms

N-(hentriacontanoyl)-phytoceramide
Cer[NP]

LM ID

LMSP02030062

Formula

C₄₉H₉₉NO₄

Exact Mass

Calculate m/z

765.757409

Sum Composition

Cer 49:0;O3

Abbrev Chains

Cer 18:0;O3/31:0

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

QIUJEFANMZZFKS-JLPJUISDSA-N

InChi (Click to copy)

InChI=1S/C49H99NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-48(53)50-46(45-51)49(54)47(52)43-41-39-37-35-33-16-14-12-10-8-6-4-2/h46-47,49,51-52,54H,3-45H2,1-2H3,(H,50,53)/t46-,47+,49-/m0/s1

SMILES (Click to copy)

OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Comparative profiling and comprehensive quantification of stratum corneum ceramides in humans and mice by LC/MS/MS.,
J Lipid Res, 2020

Pubmed ID: 32265320

DOI: 10.1194/jlr.RA120000671

Other Databases

PubChem CID

145715024

Calculated Physicochemical Properties

Heavy Atoms 54

Rings 0

Aromatic Rings 0

Rotatable Bonds 46

Van der Waals Molecular Volume 899.78

Topological Polar Surface Area 89.79

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 15.75

Molar Refractivity 238.32

Admin

Created at

28th Apr 2020

Updated at