CHEBI:16578 - 4-CDP-2-C-methyl-D-erythritol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-CDP-2-C-methyl-D-erythritol
ChEBI ID CHEBI:16578
ChEBI ASCII Name 4-CDP-2-C-methyl-D-erythritol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11938, CHEBI:1770
Supplier Information ZINC000008419042
Download Molfile XML SDF
Formula C14H25N3O14P2
Net Charge 0
Average Mass 521.30764
Monoisotopic Mass 521.08118
InChI InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1
InChIKey YFAUKWZNPVBCFF-XHIBXCGHSA-N
SMILES C[C@](O)(CO)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-CDP-2-C-methyl-D-erythritol (CHEBI:16578) has role Escherichia coli metabolite (CHEBI:76971)
4-CDP-2-C-methyl-D-erythritol (CHEBI:16578) is a alditol 4-phosphate (CHEBI:22294)
4-CDP-2-C-methyl-D-erythritol (CHEBI:16578) is a nucleotide-alditol (CHEBI:35240)
4-CDP-2-C-methyl-D-erythritol (CHEBI:16578) is a tetritol phosphate (CHEBI:26980)
4-CDP-2-C-methyl-D-erythritol (CHEBI:16578) is conjugate acid of 4-CDP-2-C-methyl-D-erythritol(2−) (CHEBI:57823)
Incoming 4-CDP-2-C-methyl-D-erythritol(2−) (CHEBI:57823) is conjugate base of 4-CDP-2-C-methyl-D-erythritol (CHEBI:16578)
IUPAC Name
cytidine 5'-{3-[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen diphosphate}
Synonym Source
4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol KEGG COMPOUND
Manual Xrefs Databases
C00007620 KNApSAcK
C11435 KEGG COMPOUND
CDM PDBeChem
View more database links
Last Modified
29 January 2016