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

MNXM145705 is deprecated and here replaced by MNXM728574
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728574 Image of MNXM728574
referencechebi:74004
formulaC52H99N3O13P2
global charge-2
mol weight1036.32
InChIKeyJXITWCJAPKTFER-DDEUYAGPSA-L
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)/p-2/t40-,41-,42-,43-,44-,45-,46+,47-,49-,50-,51-/m1/s1
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](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM728574
SMILES (mnx)[CH3:1][CH:38]([CH3:2])[CH2:17][CH2:11][CH2:19][C@@H:40]([CH3:5])[CH2:21][CH2:13][CH2:23][C@@H:42]([CH3:7])[CH2:25][CH2:15][CH2:27][C@@H:44]([CH3:9])[CH2:30][CH2:33][O:63][CH2:35][C@@H:46]([CH2:36][O:65][P:69]([OH:59])(=[O:60])[O:68][P:70]([OH:61])(=[O:62])[O:66][CH2:37][C@@H:47]1[C@@H:49]([OH:56])[C@@H:50]([OH:57])[C@H:51]([N:55]2[CH:32]=[CH:29][C:48](=[NH:53])[N:54]=[C:52]2[OH:58])[O:67]1)[O:64][CH2:34][CH2:31][C@H:45]([CH3:10])[CH2:28][CH2:16][CH2:26][C@H:43]([CH3:8])[CH2:24][CH2:14][CH2:22][C@H:41]([CH3:6])[CH2:20][CH2:12][CH2:18][CH:39]([CH3:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74004
chebi:74004
JXITWCJAPKTFER-DDEUYAGPSA-L 		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
JXITWCJAPKTFER-DNLMLEHESA-L
JXITWCJAPKTFER-DNLMLEHESA-N 		CDP-2,3-bis-(O-phytanyl)-sn-glycerol

CHEBI:74050
chebi:74050
JXITWCJAPKTFER-DDEUYAGPSA-N 		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
JXITWCJAPKTFER-DDEUYAGPSA-L 		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
JXITWCJAPKTFER-DDEUYAGPSA-L 		CDP-2,3-bis-O-phytanyl-sn-glycerol
2-O-(3'-hydroxyl)phytanyl-3-O-phytanyl-sn-glycero-1-CDP
CDP-2,3-di-O-(phytanyl)-sn-glycerol
saturated C20,20 CDP-archaeol
saturated C20,C20 CDP-archaeol

keggC:M_C20627
seedM:M_cpd31238
seedM:M_cpd35985 		secondary/obsolete/fantasy identifier