LIPID MAPS

Structure Database (LMSD)

Common Name

UDP-2,3-diacyl-GlcN

Systematic Name

UDP-2,3-bis-(3R-hydroxy-tetradecanoyl)-αD-glucosamine

Synonyms

LM ID

LMSL01020002

Status

Active

Exact Mass

Calculate m/z

1017.457573

Formula

C₄₃H₇₇N₃O₂₀P₂

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MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)

KOJCFMYSTWNMQW-RUAJDYCTSA-N

InChi (Click to copy)

InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29-,30-,31-,32-,36-,37-,38-,39-,40-,41-,42-/m1/s1

SMILES (Click to copy)

O(P(O)(=O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C(=O)NC(=O)C=C2)O1)P(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(C[C@@H](CCCCCCCCCCC)O)=O)OC(C[C@@H](CCCCCCCCCCC)O)=O)O)CO)(=O)O