GDP-valienol(2-) (CHEBI:91253)

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CHEBI:91253 - GDP-valienol(2−)

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ChEBI ID	CHEBI:91253
ChEBI Name	GDP-valienol(2−)
Stars
ASCII Name	GDP-valienol(2-)
Definition	An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-valienol; major species at pH 7.3.
Last Modified	18 April 2016
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C17H23N5O15P2
Net Charge	-2
Average Mass	599.339
Monoisotopic Mass	599.06769
SMILES	Nc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)c2n1
InChI	InChI=1S/C17H25N5O15P2/c18-17-20-14-8(15(29)21-17)19-4-22(14)16-13(28)11(26)7(35-16)3-34-38(30,31)37-39(32,33)36-6-1-5(2-23)9(24)12(27)10(6)25/h1,4,6-7,9-13,16,23-28H,2-3H2,(H,30,31)(H,32,33)(H3,18,20,21,29)/p-2/t6-,7+,9+,10-,11+,12-,13+,16+/m0/s1
InChIKey	SBXHHXUHVHYPDE-WPOGMVEHSA-L

ChEBI Ontology

Outgoing Relation(s)
	GDP-valienol(2−) (CHEBI:91253) is a organophosphate oxoanion (CHEBI:58945)
	GDP-valienol(2−) (CHEBI:91253) is conjugate base of GDP-valienol (CHEBI:128754)
Incoming Relation(s)
	GDP-valienol (CHEBI:128754) is conjugate acid of GDP-valienol(2−) (CHEBI:91253)

IUPAC Name
5'-O-{[({[(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]oxy}phosphinato)oxy]phosphinato}guanosine

UniProt Name	Source
GDP-valienol	UniProt

Manual Xrefs	Databases
CPD-18787	MetaCyc

Registry Numbers	Sources
Reaxys:21794281	Reaxys

Citations