inositol phosphoceramide C (C26)

Chemical Formula:

C₅₀H₉₉NO₁₃P

Molecular Weight:

953.3 Daltons

Monoisotopic Mass:

953.6932288125 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]([C@H](O)CCCCCCCCCCCCCC)O

InChI:

1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/p-1/t40-,41+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1

InChIKey:

PMXMKGYRVPAIJJ-MMZNESQASA-M

Synonyms

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

Databases

MetaCyc: CPD-16381

ChEBI: 53004

MetaNetX: MNXM527415

PubChem (CID): 90658744