inositol phosphoceramide D (C26)

Chemical Formula:

C₅₀H₉₉NO₁₄P

Molecular Weight:

969.3 Daltons

Monoisotopic Mass:

969.6881434346 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)[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]([C@H](O)CCCCCCCCCCCCCC)O

InChI:

1S/C50H100NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(53)43(55)50(61)51-39(38-64-66(62,63)65-49-47(59)45(57)44(56)46(58)48(49)60)42(54)40(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-49,52-60H,3-38H2,1-2H3,(H,51,61)(H,62,63)/p-1/t39-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1

InChIKey:

BUJDESZERWRJFC-QMPYUXPBSA-M

Synonyms

Ins-1-P-Cer(t18:0/2,3-OH-26:0)
inositol-P-ceramide D (18:0/26:0)
inositol-P-ceramide D (C26)
IPC-4 (C26)
IPC-D (C26)

Databases

MetaCyc: CPD-16383

ChEBI: 60415

MetaNetX: MNXM57484

PubChem (CID): 90658277