inositol phosphoceramide A (C26)

Chemical Formula:

C₅₀H₉₉NO₁₁P

Molecular Weight:

921.31 Daltons

Monoisotopic Mass:

921.7033995683 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C50H100NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(53)51-42(43(52)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)41-61-63(59,60)62-50-48(57)46(55)45(54)47(56)49(50)58/h42-43,45-50,52,54-58H,3-41H2,1-2H3,(H,51,53)(H,59,60)/p-1/t42-,43+,45-,46-,47+,48+,49+,50-/m0/s1

InChIKey:

ORSGBBKDFSRJSQ-PCIXLOPBSA-M

Synonyms

Ins-1-P-Cer(d18:0/26:0)
inositol-P-ceramide A (18:0/26:0)
inositol-P-ceramide A (C26)
IPC-1 (C26)
IPC-A (C26)
inositol phosphorylceramide A (C26)

Databases

MetaCyc: CPD-16375

ChEBI: 65089

MetaNetX: MNXM57477

PubChem (CID): 70678646