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CHEBI:74050 - CDP-2,3-bis-O-(phytanyl)-sn-glycerol

ChEBI IDCHEBI:74050
ChEBI NameCDP-2,3-bis-O-(phytanyl)-sn-glycerol
Stars
ASCII NameCDP-2,3-bis-O-(phytanyl)-sn-glycerol
DefinitionA CDP-glycerol that is 2,3-bis-O-(phytanyl)-sn-glycerol (archaeol) having a CDP moiety attached at position 1.
Last Modified22 March 2021
SubmitterSteve
DownloadsMolfile
FormulaC52H101N3O13P2
Net Charge0
Average Mass1038.336
Monoisotopic Mass1037.68096
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=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)/t40-,41-,42-,43-,44-,45-,46+,47-,49-,50-,51-/m1/s1
InChIKeyJXITWCJAPKTFER-DDEUYAGPSA-N
ChEBI Ontology
Outgoing Relation(s)
CDP-2,3-bis-O-(phytanyl)-sn-glycerol (CHEBI:74050) has functional parent 2,3-di-O-phytanyl-sn-glycerol (CHEBI:34227)
CDP-2,3-bis-O-(phytanyl)-sn-glycerol (CHEBI:74050) is a CDP-glycerols (CHEBI:35774)
CDP-2,3-bis-O-(phytanyl)-sn-glycerol (CHEBI:74050) is a ether lipid (CHEBI:64611)
CDP-2,3-bis-O-(phytanyl)-sn-glycerol (CHEBI:74050) is conjugate acid of CDP-2,3-bis-O-(phytanyl)-sn-glycerol(2−) (CHEBI:74004)
Incoming Relation(s)
CDP-2,3-bis-O-(phytanyl)-sn-glycerol(2−) (CHEBI:74004) is conjugate base of CDP-2,3-bis-O-(phytanyl)-sn-glycerol (CHEBI:74050)
IUPAC Name 
5'-O-[({[(2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
Synonyms  Source
CDP-archaeolChEBI
CDP-2,3-di-O-(phytanyl)-sn-glycerolMetaCyc
Manual XrefsDatabases
CPD-15253MetaCyc
Citations