CHEBI:18014 - CMP-3-deoxy-α-D-manno-octulosonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CMP-3-deoxy-α-D-manno-octulosonic acid
ChEBI ID CHEBI:18014
ChEBI ASCII Name CMP-3-deoxy-alpha-D-manno-octulosonic acid
Definition A CMP-sugar having 3-deoxy-α-D-manno-octulosonic acid as the sugar component.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20874, CHEBI:13275, CHEBI:3277
Supplier Information
Download Molfile XML SDF
Formula C17H26N3O15P
Net Charge 0
Average Mass 543.37320
Monoisotopic Mass 543.11015
InChI InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1
InChIKey YWWJKULNWGRYAS-XKKDATLGSA-N
SMILES [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@H](O)CO
ChEBI Ontology
Outgoing CMP-3-deoxy-α-D-manno-octulosonic acid (CHEBI:18014) is a CMP-sugar (CHEBI:20878)
CMP-3-deoxy-α-D-manno-octulosonic acid (CHEBI:18014) is conjugate acid of CMP-3-deoxy-α-D-manno-octulosonate(2−) (CHEBI:59825)
Incoming CMP-3-deoxy-α-D-manno-octulosonate(2−) (CHEBI:59825) is conjugate base of CMP-3-deoxy-α-D-manno-octulosonic acid (CHEBI:18014)
IUPAC Name
cytidine 5'-[(3-deoxy-α-D-manno-oct-2-ulopyranosonyl) hydrogen phosphate]
Synonym Source
CMP-KDO ChEBI
Last Modified
01 July 2015