skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > nucleotide-sugar oxoanion > cmp-n-beta-acetyl-9-o-acetylneuraminate(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > nucleotide-sugar oxoanion > cmp-n-beta-acetyl-9-o-acetylneuraminate(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > nucleotide-sugar oxoanion > cmp-n-beta-acetyl-9-o-acetylneuraminate(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > nucleotide-sugar oxoanion > cmp-n-beta-acetyl-9-o-acetylneuraminate(2-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > nucleotide-sugar oxoanion > cmp-n-beta-acetyl-9-o-acetylneuraminate(2-)

Preferred term

cmp-n-beta-acetyl-9-o-acetylneuraminate(2-)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • -2

formula

  • C22H31N4O17P

has_functional_parent

inchi

  • InChI=1S/C22H33N4O17P/c1-8(27)24-14-10(29)5-22(20(34)35,42-18(14)15(31)11(30)6-39-9(2)28)43-44(37,38)40-7-12-16(32)17(33)19(41-12)26-4-3-13(23)25-21(26)36/h3-4,10-12,14-19,29-33H,5-7H2,1-2H3,(H,24,27)(H,34,35)(H,37,38)(H2,23,25,36)/p-2/t10-,11+,12+,14+,15+,16+,17+,18+,19+,22+/m0/s1

inchikey

  • ZMMQGPOJIJZZEV-BFFRMRRTSA-L

mass

  • 654.476

monoisotopicmass

  • 654.14328

smiles

  • [C@@]1([C@@H]([C@@H](COC(C)=O)O)O)([C@H](NC(=O)C)[C@@H](O)C[C@](O1)(C([O-])=O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C(N=C(C=C3)N)=O)[C@@H]([C@@H]2O)O)[H]

subset

  • 2_STAR

synonym RELATED

  • CMP-N-acetyl-9-O-acetyl-beta-neuraminate
  • CMP-Neu5,9Ac2(2-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229947

Download this concept:

RDF/XML TURTLE JSON-LD