inositol phosphoceramide B' (C26)

Chemical Formula:

C₅₀H₉₉NO₁₂P

Molecular Weight:

937.3 Daltons

Monoisotopic Mass:

937.6983141904 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](COP(O[C@H]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1))([O-])=O)[C@@H](CCCCCCCCCCCCCCC)O

InChI:

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

InChIKey:

XYCNASUKVOVNSX-JZZCRTNLSA-M

Synonyms

Ins-1-P-Cer(d18:0/2-OH-26:0)
inositol-P-ceramide B' (18:0/26:0)
inositol-P-ceramide B' (C26)
IPC-2' (C26)
IPC-B' (C26)

Databases

MetaCyc: CPD-16378

ChEBI: 65094

MetaNetX: MNXM57475

PubChem (CID): 70678660