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CHEBI:80410 - Cyclopropanecarboxyl-CoA

ChEBI IDCHEBI:80410
ChEBI NameCyclopropanecarboxyl-CoA
Stars
DownloadsMolfile
FormulaC25H40N7O17P3S
Net Charge0
Average Mass835.616
Monoisotopic Mass835.14142
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C1CC1
InChIInChI=1S/C25H40N7O17P3S/c1-25(2,19(35)22(36)28-6-5-15(33)27-7-8-53-24(37)13-3-4-13)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,3-10H2,1-2H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1
InChIKeyNCSHVCWGZZSPQT-NNYIDDMCSA-N
ChEBI Ontology
Outgoing Relation(s)
Cyclopropanecarboxyl-CoA (CHEBI:80410) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16268KEGG COMPOUND
Registry NumbersSources
CAS:52530-01-5KEGG COMPOUND