inositol phosphomannosylinositol phosphoceramide B' (C26)

Chemical Formula:

C₆₂H₁₁₉NO₂₅P₂

Molecular Weight:

1340.6 Daltons

Monoisotopic Mass:

1341.7702914618 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(N[C@@H](COP(O[C@@H]3([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](OC2(O[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](O)[C@H](O)[C@H](O)2))3))(=O)[O-])[C@H](O)CCCCCCCCCCCCCCC)=O

InChI:

1S/C62H121NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(65)61(78)63-42(43(64)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)40-83-89(79,80)88-60-56(76)52(72)51(71)55(75)59(60)86-62-57(77)47(67)46(66)45(85-62)41-84-90(81,82)87-58-53(73)49(69)48(68)50(70)54(58)74/h42-60,62,64-77H,3-41H2,1-2H3,(H,63,78)(H,79,80)(H,81,82)/p-2/t42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/m0/s1

InChIKey:

KQAGNTYMDLIIEG-RZVRETCDSA-L

Synonyms

Ins-1-P-6-Man-1-2-Ins-1-P-Cer(d18:0/2-OH-26:0)
M(IP)2C-2'
M(IP)2C-B'
mannose-(inositol-P)2-ceramide-B'

Databases

MetaCyc: CPD-16367

ChEBI: 62717

MetaNetX: MNXM57453

PubChem (CID): 90659187