2'-deoxyinosine-5'-diphosphate (CHEBI:28823)

CHEBI:28823 - 2'-deoxyinosine-5'-diphosphate

ChEBI ID	CHEBI:28823
ChEBI Name	2'-deoxyinosine-5'-diphosphate
Stars
Definition	A deoxyinosine phosphate compound having a diphosphate group at the 5'-position.
Secondary ChEBI IDs	CHEBI:10498, CHEBI:19249
Last Modified	27 January 2016
Downloads	Molfile

Formula	C10H14N4O10P2
Net Charge	0
Average Mass	412.188
Monoisotopic Mass	412.01852
SMILES	O=c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O1
InChI	InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey	BKUSIKGSPSFQAC-RRKCRQDMSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	2'-deoxyinosine-5'-diphosphate (CHEBI:28823) has functional parent IMP (CHEBI:17202)
	2'-deoxyinosine-5'-diphosphate (CHEBI:28823) has role Escherichia coli metabolite (CHEBI:76971)
	2'-deoxyinosine-5'-diphosphate (CHEBI:28823) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	2'-deoxyinosine-5'-diphosphate (CHEBI:28823) has role human metabolite (CHEBI:77746)
	2'-deoxyinosine-5'-diphosphate (CHEBI:28823) has role mouse metabolite (CHEBI:75771)
	2'-deoxyinosine-5'-diphosphate (CHEBI:28823) is a deoxyinosine phosphate (CHEBI:23630)
	2'-deoxyinosine-5'-diphosphate (CHEBI:28823) is a purine 2'-deoxyribonucleoside 5'-diphosphate (CHEBI:37036)
	2'-deoxyinosine-5'-diphosphate (CHEBI:28823) is conjugate acid of 2'-deoxyinosine 5'-diphosphate(3−) (CHEBI:62286)
Incoming Relation(s)
Incoming Relation(s)	2'-deoxyinosine 5'-diphosphate(3−) (CHEBI:62286) is conjugate base of 2'-deoxyinosine-5'-diphosphate (CHEBI:28823)

IUPAC Name
2'-deoxyinosine 5'-(trihydrogen diphosphate)

Manual Xrefs	Databases
C01344	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:7397772	Beilstein