Man-β1-6-Ins-1-P-Cer(t20:0/26:0)

Chemical Formula:

C₅₈H₁₁₄NO₁₇P

Molecular Weight:

1128.496 Daltons

Monoisotopic Mass:

1127.78244 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]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCCCC

InChI:

1S/C58H114NO17P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(62)59-44(48(63)45(61)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2)43-73-77(71,72)76-57-54(69)52(67)51(66)53(68)56(57)75-58-55(70)50(65)49(64)46(42-60)74-58/h44-46,48-58,60-61,63-70H,3-43H2,1-2H3,(H,59,62)(H,71,72)/t44-,45?,46+,48-,49+,50-,51+,52+,53-,54+,55-,56+,57+,58?/m0/s1

InChIKey:

NOMLKAXMLRHLKP-FKDFYUAXSA-N

Synonyms

MIPC-2 (C26)
MIPC-B (C26)
mannosylinositol phosphorylceramide B (C26)
mannosylinositol phosphorylceramide B (20:0/26:0)
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-(hexacosanoylamino)-3,4-dihydroxyicosyl hydrogen phosphate]
(2S,3S)-2-(hexacosanoylamino)-3,4-dihydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate

Databases

ChEBI: 60421