CMP-5'-phosphonoformate(3-) (CHEBI:91255)

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CHEBI:91255 - CMP-5'-phosphonoformate(3−)

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ChEBI ID	CHEBI:91255
ChEBI Name	CMP-5'-phosphonoformate(3−)
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ASCII Name	CMP-5'-phosphonoformate(3-)
Definition	An organophosphate oxoanion obtained by removal of three protons from CMP-5'-phosphonoformic acid; major species at pH 7.3.
Last Modified	18 April 2016
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C10H12N3O12P2
Net Charge	-3
Average Mass	428.163
Monoisotopic Mass	427.99127
SMILES	Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])C(=O)[O-])[C@@H](O)[C@H]2O)c(=O)n1
InChI	InChI=1S/C10H15N3O12P2/c11-5-1-2-13(9(16)12-5)8-7(15)6(14)4(24-8)3-23-27(21,22)25-26(19,20)10(17)18/h1-2,4,6-8,14-15H,3H2,(H,17,18)(H,19,20)(H,21,22)(H2,11,12,16)/p-3/t4-,6-,7-,8-/m1/s1
InChIKey	UKMKGKZFTWPAOJ-XVFCMESISA-K

ChEBI Ontology

Outgoing Relation(s)
	CMP-5'-phosphonoformate(3−) (CHEBI:91255) is a monocarboxylic acid anion (CHEBI:35757)
	CMP-5'-phosphonoformate(3−) (CHEBI:91255) is a organophosphate oxoanion (CHEBI:58945)
	CMP-5'-phosphonoformate(3−) (CHEBI:91255) is conjugate base of CMP-5'-phosphonoformic acid (CHEBI:131759)
Incoming Relation(s)
	CMP-5'-phosphonoformic acid (CHEBI:131759) is conjugate acid of CMP-5'-phosphonoformate(3−) (CHEBI:91255)

IUPAC Name
5'-O-{[(carboxylatophosphinato)oxy]phosphinato}cytidine

UniProt Name	Source
CMP-5'-phosphonoformate	UniProt

Manual Xrefs	Databases
CPD-11737	MetaCyc

Citations