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1,2-dihexadecanoyl-sn-glycero-3-CDP

PropertiesImage
MNX_IDMNXM1363966 Image of MNXM1363966
referencechebi:77190
formulaC44H79N3O15P2
global charge-2
mol weight952.07
InChIKeyITYHVANGBZMQML-BQUKFSKHSA-L
InChIInChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/p-2/t36-,37-,41-,42-,43-/m1/s1
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1 Image of MNXM1363966
SMILES (mnx)[CH2:1]([CH2:4][C@@H:5]([CH2:6][CH2:3][C:2]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH3:22])=[CH2:38])[CH2:20][C:23](=[CH2:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH3:40])[O:61]([O:58][P:63]([O:57][O:56][C@H:44]1[CH2:43][C@@H:42]([N:46]2[N:47](=[O:51])[O:50]=[O:54]([OH:55])[O:52]=[O:48]2)[C@H:41]([OH:49])[N:45]1[OH:53])(=[O:59])[PH2:64])(=[O:60])[OH:62]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77190
chebi:77190
ITYHVANGBZMQML-BQUKFSKHSA-L 		1,2-dihexadecanoyl-sn-glycero-3-CDP
1,2-dihexadecanoyl-sn-glycero-3-CDP(2-)
1,2-dihexadecanoyl-sn-glycero-3-cytidine 5'-diphosphate(2-)
1,2-dipalmitoyl-sn-glycero-3-cytidine 5'-diphosphate(2-)
5'-O-[({[(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine
CDP-dipalmitoyl-sn-glycerol(2-)
cytidine diphosphodipalmitoyl glyceride(2-)

SLM:000390123
slm:000390123
ITYHVANGBZMQML-BQUKFSKHSA-L 		CDP-1,2-dihexadecanoyl-sn-glycerol
1,2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphosphate
CDP-DAG (16:0/16:0)
CDP-DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))

bigg.metabolite:cdpdhdecg
biggM:cdpdhdecg
vmhM:cdpdhdecg
vmhM:cdpdhdecg
vmhmetabolite:cdpdhdecg
vmhmetabolite:cdpdhdecg
ITYHVANGBZMQML-UHFFFAOYSA-L 		CDP-1,2-dihexadecanoylglycerol

metacyc.compound:CPD-12815
metacycM:CPD-12815
seed.compound:cpd23593
seedM:cpd23593
ITYHVANGBZMQML-BQUKFSKHSA-L 		CDP-1,2-dipalmitoylglycerol

lipidmaps:LMGP13010003
lipidmapsM:LMGP13010003
ITYHVANGBZMQML-BQUKFSKHSA-N 		CDP-DG(16:0/16:0)
1,2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphosphate
CDP-DG 32:0
CDP-DG(16:0/16:0)
CDP-DG(32:0)

CHEBI:77358
chebi:77358
ITYHVANGBZMQML-BQUKFSKHSA-N 		CDP-dipalmitoyl-sn-glycerol
1,2-dihexadecanoyl-sn-glycero-3-CDP
1,2-dihexadecanoyl-sn-glycero-3-cytidine 5'-diphosphate
1,2-dipalmitoyl-sn-glycero-3-CDP
1,2-dipalmitoyl-sn-glycero-3-cytidine 5'-diphosphate
5'-O-[({[(2R)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
CDP-1,2-dipalmitoylglycerol
CDP-DG(16:0/16:0)
CDP-DG(32:0)
CDP-Diacylglycerol(16:0/16:0)
CDP-Diacylglycerol(32:0)
CDP-dihexadecanoyl-sn-glycerol

biggM:M_cdpdhdecg
seedM:M_cpd23593
vmhM:M_cdpdhdecg 		secondary/obsolete/fantasy identifier