saturated CDP-archaeol

Chemical Formula:

C₅₂H₉₉N₃O₁₃P₂

Molecular Weight:

1036.314 Daltons

Monoisotopic Mass:

1037.680963365 Daltons

SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

InChI:

1S/C52H101N3O13P2/c1-38(2)17-11-19-40(5)21-13-23-42(7)25-15-27-44(9)30-33-63-35-46(64-34-31-45(10)28-16-26-43(8)24-14-22-41(6)20-12-18-39(3)4)36-65-69(59,60)68-70(61,62)66-37-47-49(56)50(57)51(67-47)55-32-29-48(53)54-52(55)58/h29,32,38-47,49-51,56-57H,11-28,30-31,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/p-2/t40-,41-,42-,43-,44-,45-,46+,47-,49-,50-,51-/m1/s1

InChIKey:

JXITWCJAPKTFER-DDEUYAGPSA-L

Synonyms

CDP-2,3-di-O-(phytanyl)-sn-glycerol
saturated C20-C20 ether lipid
CDP-2,3-bis-O-(phytanyl)-sn-glycerol

Databases

MetaCyc: CPD-15253

PubChem (CID): 71581091

ChEBI: 74004

MetaNetX: MNXM145705

KEGG: C20627