LIPID MAPS

Structure Database (LMSD)

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Common Name

Galalpha1-6Glcbeta-Cer(t18:0/21:0(2OH[R])

Systematic Name

1-O-melibiosoyl-(N-(2R-hydroxy-heneicosanoyl)-4R-hydroxy-sphinganine)

Synonyms

LM ID

LMSP05000005

Formula

C₅₁H₉₉NO₁₅

Exact Mass

Calculate m/z

965.701474

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

CTVAKRFYAJFUGO-DKNKIMLOSA-N

InChi (Click to copy)

InChI=1S/C51H99NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(55)49(63)52-37(42(56)38(54)32-30-28-26-24-22-16-14-12-10-8-6-4-2)35-64-50-48(62)46(60)44(58)41(67-50)36-65-51-47(61)45(59)43(57)40(34-53)66-51/h37-48,50-51,53-62H,3-36H2,1-2H3,(H,52,63)/t37-,38+,39+,40+,41+,42-,43-,44+,45-,46-,47+,48+,50+,51-/m0/s1

SMILES (Click to copy)

[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)O1)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Desmapsamma anchorata (#698789)

Demospongiae (#6042)

Occurrence of Melibiose-Containing Glycosphingolipids in a Sample of a Sponge-Coral Association (Desmapsamma anchorata/Carijoa riisei).,
Chem Biodivers, 2019

Pubmed ID: 30417533