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CHEBI:43944 - 5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A

Default Structure
ChEBI IDCHEBI:43944
ChEBI Name5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A
Stars
DownloadsMolfile
FormulaC33H55N7O18P3S2
Net Charge+1
Average Mass994.890
Monoisotopic Mass994.22524
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(=O)[C@@]([H])(O[H])N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)/C([H])=C(\[H])C([H])([H])[C@@]([H])(SC([H])([H])C([H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])O[C@@]1([H])[n+]1c([H])n([H])c2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C33H54N7O18P3S2/c1-4-5-6-8-21(62-16-14-41)9-7-10-24(43)63-15-13-35-23(42)11-12-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h7,10,14,19-22,26-27,31-32,36,44,46H,4-6,8-9,11-13,15-18H2,1-3H3,(H7,34,35,37,38,42,47,48,49,50,51,52,53)/p+1/b10-7+/t21-,22+,26+,27+,31+,32+/m0/s1
InChIKeyIJSMUHMCIYOVMM-UAQBTBCQSA-O
ChEBI Ontology
Outgoing Relation(s)
5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A (CHEBI:43944) is a unclassifieds (CHEBI:27189)
Synonym  Source
5-MERCAPTOETHANOL-2-DECENOYL-COENZYME APDBeChem
Manual XrefsDatabases
MDEPDBeChem