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CHEBI:39609 - PROPIONYL COENZYME A

Default Structure
ChEBI IDCHEBI:39609
ChEBI NamePROPIONYL COENZYME A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H41N7O17P3S
Net Charge+1
Average Mass824.613
Monoisotopic Mass824.14870
SMILES[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])[H])O[C@@]1([H])[n+]1c([H])nc2c(N([H])[H])n([H])c([H])nc1-2
InChIInChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H8,25,26,27,28,29,32,36,37,38,39,40,41,42,43)/p+1/t13-,17-,18-,19-,23-/m1/s1
InChIKeyVHESAZAWKLOYOS-JCMJOFAMSA-O
ChEBI Ontology
Outgoing Relation(s)
PROPIONYL COENZYME A (CHEBI:39609) is a unclassifieds (CHEBI:27189)
Synonyms  Source
6-amino-9-{(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-[(3S,5S,9S)-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-1-yl]tetrahydrofuran-2-yl}-1H-purin-9-ium (non-preferred name)PDBeChem
PROPIONYL COENZYME APDBeChem
Manual XrefsDatabases
191PDBeChem