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CHEBI:45413 - SUCCINYL(CARBADETHIA)-COENZYME A

Default Structure
ChEBI IDCHEBI:45413
ChEBI NameSUCCINYL(CARBADETHIA)-COENZYME A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H42N7O19P3
Net Charge0
Average Mass849.574
Monoisotopic Mass849.17483
SMILES[H]OC(=O)C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
InChIInChI=1S/C26H42N7O19P3/c1-26(2,21(39)24(40)29-9-7-16(35)28-8-3-4-14(34)5-6-17(36)37)11-49-55(46,47)52-54(44,45)48-10-15-20(51-53(41,42)43)19(38)25(50-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,38-39H,3-11H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t15-,19-,20-,21+,25-/m1/s1
InChIKeyWPCFLGXXWJIJOV-ZMHDXICWSA-N
ChEBI Ontology
Outgoing Relation(s)
SUCCINYL(CARBADETHIA)-COENZYME A (CHEBI:45413) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)PDBeChem
SUCCINYL(CARBADETHIA)-COENZYME APDBeChem
Manual XrefsDatabases
SCDPDBeChem