CHEBI:34046 - 1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate

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ChEBI Name 1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate
ChEBI ID CHEBI:34046
ChEBI ASCII Name 1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate
Definition A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as dodecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000008552317
Download Molfile XML SDF
Formula C36H65N3O15P2
Net Charge 0
Average Mass 841.861
Monoisotopic Mass 841.38909
InChI InChI=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
InChIKey PTPPKXVNJJIECF-LSSKPTOFSA-N
SMILES O(C[C@@H](COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O
Metabolite of Species Details
Mycoplasma genitalium (NCBI:txid2097) See: PubMed
Roles Classification
Biological Role(s): Mycoplasma genitalium metabolite
Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via CDP-diacylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via CDP-diacylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:34046) has functional parent dodecanoic acid (CHEBI:30805)
1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:34046) has role Mycoplasma genitalium metabolite (CHEBI:131604)
1,2-didodecanoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:34046) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name
5'-O-[({[(2R)-2,3-bis(dodecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
Synonyms Sources
1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate KEGG COMPOUND
1,2-dilauroyl-sn-glycero-3-cytidine 5'-diphosphate ChEBI
CDP-1,2-didodecanoyl-sn-glycerol ChEBI
CDP-1,2-didodecanoylglycerol ChEBI
CDP-1,2-dilauroyl-sn-glycerol ChEBI
CDP-1,2-dilauroylglycerol ChEBI
CDP-DG(12:0/12:0) LIPID MAPS
Manual Xrefs Databases
C13891 KEGG COMPOUND
LMGP13010001 LIPID MAPS
View more database links
Citation
Karr JR, Sanghvi JC, Macklin DN, Gutschow MV, Jacobs JM, Bolival B, Assad-Garcia N, Glass JI, Covert MW (2012)
A whole-cell computational model predicts phenotype from genotype.
Cell 150, 389-401 [PubMed:22817898]
[show Abstract]
Last Modified
05 April 2016