CHEBI:63680 - CMP-pseudaminate

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ChEBI Name CMP-pseudaminate
ChEBI ID CHEBI:63680
Definition A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-pseudaminic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information ZINC000008215638
Download Molfile XML SDF
Formula C22H32N5O15P
Net Charge -2
Average Mass 637.48770
Monoisotopic Mass 637.16435
InChI InChI=1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/p-2/t8-,11-,12+,14-,15-,16+,17+,18-,19+,22+/m0/s1
InChIKey XTZJKGIMUFZFBV-STPXTTIVSA-L
SMILES [H][C@]1(O[C@](C[C@H](O)[C@@H]1NC(C)=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@@H](NC(C)=O)[C@H](C)O
ChEBI Ontology
Outgoing CMP-pseudaminate (CHEBI:63680) has functional parent pseudaminate (CHEBI:63282)
CMP-pseudaminate (CHEBI:63680) is a nucleotide-sugar oxoanion (CHEBI:59737)
CMP-pseudaminate (CHEBI:63680) is conjugate base of CMP-pseudaminic acid (CHEBI:63778)
Incoming CMP-pseudaminic acid (CHEBI:63778) is conjugate acid of CMP-pseudaminate (CHEBI:63680)
Synonyms Sources
CMP-5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-non-2-ulopyranosonate ChEBI
CMP-pseudaminate UniProt
Citation Type Source
16751642 PubMed citation SUBMITTER
Last Modified
01 February 2012