inositol phosphomannosylinositol phosphoceramide B' (C24)

Chemical Formula:

C₆₀H₁₁₅NO₂₅P₂

Molecular Weight:

1312.5 Daltons

Monoisotopic Mass:

1313.7389913334 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](COP(O[C@@H]3([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@@H]2(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

InChI:

1S/C60H117NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(63)59(76)61-40(41(62)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-81-87(77,78)86-58-54(74)50(70)49(69)53(73)57(58)84-60-55(75)45(65)44(64)43(83-60)39-82-88(79,80)85-56-51(71)47(67)46(66)48(68)52(56)72/h40-58,60,62-75H,3-39H2,1-2H3,(H,61,76)(H,77,78)(H,79,80)/p-2/t40-,41+,42-,43+,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60-/m0/s1

InChIKey:

YIOXLZJXYRDBIN-BNZHPDCNSA-L

Synonyms

Ins-1-P-6-Man-β(1-2)-Ins-1-P-Cer(d18:0/2-OH-24:0)

Databases

MetaCyc: CPD-16365

ChEBI: 60441

MetaNetX: MNXM57463

PubChem (CID): 90658920