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

PropertiesImage
MNX_IDMNXM2005 Image of MNXM2005
referencechebi:58838
formulaC52H83N3O13P2
global charge-2
mol weight1020.192
InChIKeyDCAZOLWWPLSROK-DXHGDTBASA-L
InChIInChI=1S/C52H85N3O13P2/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/h17-18,21-22,25-26,29-32,46-47,49-51,56-57H,11-16,19-20,23-24,27-28,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/p-2/b40-21+,41-22+,42-25+,43-26+,44-30+,45-31+/t46-,47+,49+,50+,51+/m0/s1
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[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)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
MNX internals
InChI (mnx)InChI=1/C52H85N3O13P2/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/h17-18,21-22,25-26,29-32,46-47,49-51,56-57H,11-16,19-20,23-24,27-28,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/b40-21+,41-22+,42-25+,43-26+,44-30+,45-31+/t46-,47+,49+,50+,51+/m0/s1 Image of MNXM2005
SMILES (mnx)[CH3:1][C:38]([CH3:2])=[CH:17][CH2:11][CH2:19]/[C:40]([CH3:5])=[CH:21]/[CH2:13][CH2:23]/[C:42]([CH3:7])=[CH:25]/[CH2:15][CH2:27]/[C:44]([CH3:9])=[CH: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]/[CH:31]=[C:45](\[CH3:10])[CH2:28][CH2:16]/[CH:26]=[C:43](\[CH3:8])[CH2:24][CH2:14]/[CH:22]=[C:41](\[CH3:6])[CH2:20][CH2:12][CH:18]=[C:39]([CH3:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58838
chebi:58838
DCAZOLWWPLSROK-DXHGDTBASA-L 		CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol
5'-O-{[({[(2S)-2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl]oxy}phosphinato)oxy]phosphinato}cytidine
CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol(2-)

kegg.compound:C18059
keggC:C18059
DCAZOLWWPLSROK-DXHGDTBASA-N 		CDP-2,3-bis-(O-geranylgeranyl)-sn-glycerol

lipidmaps:LMGP13040001
lipidmapsM:LMGP13040001
DCAZOLWWPLSROK-DXHGDTBASA-N 		CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol
2,3-digeranylgeranyl-sn-glycero-1-cytidine-5'-diphosphate
CDP-DG dO-40:8

CHEBI:50726
chebi:50726
DCAZOLWWPLSROK-DXHGDTBASA-N 		CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol
5'-O-[{[{[(2S)-2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
CDP-2,3-digeranylgeranyl sn-G-1-P

seed.compound:cpd18042
seedM:cpd18042
DCAZOLWWPLSROK-DXHGDTBASA-L 		CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol
C20-C20 ether lipid
CDP-archaeol
unsaturated C20-C20 ether lipid
unsaturated CDP-archaeol

metacyc.compound:CPD-10740
metacycM:CPD-10740
DCAZOLWWPLSROK-DXHGDTBASA-L 		CDP-2,3-bis-O-geranylgeranyl-sn-glycerol
unsaturated C20,20 CDP-archaeol
unsaturated C20,C20 CDP-archaeol

keggC:M_C18059
seedM:M_cpd18042 		secondary/obsolete/fantasy identifier