Search MNXref
 Feedback

1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate

PropertiesImage
MNX_IDMNXM32143 Image of MNXM32143
referencechebi:34046
formulaC36H65N3O15P2
global charge0
mol weight841.87
InChIKeyPTPPKXVNJJIECF-LSSKPTOFSA-N
InChIInChI=1S/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/t28-,29-,33-,34-,35-/m1/s1
SMILESCCCCCCCCCCCC(=O)OC[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(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/t28-,29-,33-,34-,35-/m1/s1 Image of MNXM32143
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][C:31](=[O:40])[O:49][CH2:25][C@H:28]([CH2:26][O:50][P:55]([OH:45])(=[O:46])[O:54][P:56]([OH:47])(=[O:48])[O:51][CH2:27][C@@H:29]1[C@@H:33]([OH:42])[C@@H:34]([OH:43])[C@H:35]([N:39]2[CH:24]=[CH:23][C:30](=[NH:37])[N:38]=[C:36]2[OH:44])[O:53]1)[O:52][C:32]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:34046
chebi:34046
PTPPKXVNJJIECF-LSSKPTOFSA-N 		1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate
1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate
1,2-dilauroyl-sn-glycero-3-cytidine 5'-diphosphate
5'-O-[({[(2R)-2,3-bis(dodecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
CDP-1,2-didodecanoyl-sn-glycerol
CDP-1,2-didodecanoylglycerol
CDP-1,2-dilauroyl-sn-glycerol
CDP-1,2-dilauroylglycerol
CDP-DG(12:0/12:0)

seed.compound:cpd09700
seedM:cpd09700
PTPPKXVNJJIECF-AWKWDUEESA-L 		1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate

kegg.compound:C13891
keggC:C13891
PTPPKXVNJJIECF-AWKWDUEESA-N 		CDP-1,2-didodecanoyl-sn-glycerol
1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate

SLM:000741078
slm:000741078
PTPPKXVNJJIECF-LSSKPTOFSA-L 		CDP-1,2-didodecanoyl-sn-glycerol
1,2-didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate
CDP-DAG (12:0/12:0)

lipidmaps:LMGP13010001
lipidmapsM:LMGP13010001
PTPPKXVNJJIECF-LSSKPTOFSA-N 		CDP-DG(12:0/12:0)
1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate
CDP-DG 24:0
CDP-DG(12:0/12:0)
CDP-DG(24:0)

keggC:M_C13891
seedM:M_cpd09700 		secondary/obsolete/fantasy identifier