CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid (CHEBI:131596)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131596 - CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:131596
ChEBI Name	CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid
Stars
ASCII Name	CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid
Definition	A CMP-sugar having 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid as the sugar component.
Last Modified	22 March 2016
Submitter	Steve
Downloads	Molfile

Formula	C18H28N3O16P
Net Charge	0
Average Mass	573.401
Monoisotopic Mass	573.12072
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1O
InChI	InChI=1S/C18H28N3O16P/c19-9-1-2-21(17(31)20-9)15-13(28)12(27)8(35-15)5-34-38(32,33)37-18(16(29)30)3-6(23)10(25)14(36-18)11(26)7(24)4-22/h1-2,6-8,10-15,22-28H,3-5H2,(H,29,30)(H,32,33)(H2,19,20,31)/t6-,7+,8+,10+,11+,12+,13+,14+,15+,18+/m0/s1
InChIKey	SFLGTPJBQWRIMH-ZBOJUINDSA-N

Species of Metabolite	Component	Source	Comments
Bacteroides thetaiotaomicron (ncbitaxon:818)	-	PubMed (18804026)

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596) has functional parent 3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131593)
	CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596) has role bacterial metabolite (CHEBI:76969)
	CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596) is a CMP-sugar (CHEBI:20878)
	CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596) is conjugate acid of CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonate(2−) (CHEBI:90989)
Incoming Relation(s)
Incoming Relation(s)	CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonate(2−) (CHEBI:90989) is conjugate base of CMP-3-deoxy-D-glycero-β-D-galacto-nonulosonic acid (CHEBI:131596)

IUPAC Name
cytidine 5'-[(3-deoxy-D-glycero-β-D-galacto-non-2-ulopyranosonyl) hydrogen phosphate]

Synonyms	Source
CMP-3-deoxy-D-glycero-β-D-galacto-nononic acid	MetaCyc
CMP-deaminoneuraminic acid	MetaCyc
CMP-KDN	MetaCyc

Manual Xrefs	Databases
CPD-10737	MetaCyc

Registry Numbers	Sources
Reaxys:7787525	Reaxys

Citations