inositol-P-ceramide B (C26)

Chemical Formula:

C₅₀H₁₀₀NO₁₂P

Molecular Weight:

938.30230 Daltons

Monoisotopic Mass:

937.69831 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)[C@@H](O)CCCCCCCCCCCCCC

InChI:

1S/C50H100NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(53)51-41(40-62-64(60,61)63-50-48(58)46(56)45(55)47(57)49(50)59)44(54)42(52)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44-50,52,54-59H,3-40H2,1-2H3,(H,51,53)(H,60,61)/t41-,42-,44-,45-,46-,47+,48+,49+,50-/m0/s1

InChIKey:

ZAWCXEGDYSBAHF-OKCLXCGZSA-N

Synonyms

Ins-1-P-Cer(t18:0/26:0)
inositol-P-ceramide B (18:0/26:0)
IPC-2 (C26)
IPC-B (C26)

Databases

ChEBI: 60412

LIPID MAPS: LMSP03030002