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

MNXM145705 is deprecated and here replaced by MNXM728574
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM728574

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₅₂H₉₉N₃O₁₃P₂

charge

-2

mass

1035.66641

reference

chebi:74004

InChIKey

JXITWCJAPKTFER-DDEUYAGPSA-L

InChI

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

SMILES

CC(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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74004 chebi:74004	CDP-2,3-bis-O-(phytanyl)-sn-glycerol 5'-O-[({[(2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propoxy]phosphinato}oxy)phosphinato]cytidine CDP-2,3-bis-O-(phytanyl)-sn-glycerol(2-) CDP-archaeol(2-)
seed.compound:cpd31238 seedM:cpd31238 kegg.compound:C20627 keggC:C20627	CDP-2,3-bis-(O-phytanyl)-sn-glycerol
CHEBI:74050 chebi:74050	CDP-2,3-bis-O-(phytanyl)-sn-glycerol 5'-O-[({[(2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine CDP-2,3-di-O-(phytanyl)-sn-glycerol CDP-archaeol
seed.compound:cpd35985 seedM:cpd35985	CDP-2,3-bis-O-(phytanyl)-sn-glycerol CDP-2,3-di-O-(phytanyl)-sn-glycerol saturated C20-C20 ether lipid saturated CDP-archaeol
metacyc.compound:CPD-15253 metacycM:CPD-15253	saturated CDP-archaeol CDP-2,3-bis-O-(phytanyl)-sn-glycerol CDP-2,3-di-O-(phytanyl)-sn-glycerol saturated C20-C20 ether lipid
keggC:M_C20627 seedM:M_cpd31238 seedM:M_cpd35985	secondary/obsolete/fantasy identifier