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CHEBI:166969 - asc-ωΔC5-CoA(4−)

ChEBI IDCHEBI:166969
ChEBI Nameasc-ωΔC5-CoA(4−)
Stars
ASCII Nameasc-omegaDeltaC5-CoA(4-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H48N7O21P3S
Net Charge-4
Average Mass991.753
Monoisotopic Mass991.18588
SMILESC[C@@H]1O[C@@H](OCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C32H52N7O21P3S/c1-17-18(40)12-19(41)31(57-17)54-10-5-4-6-22(43)64-11-9-34-21(42)7-8-35-29(46)26(45)32(2,3)14-56-63(52,53)60-62(50,51)55-13-20-25(59-61(47,48)49)24(44)30(58-20)39-16-38-23-27(33)36-15-37-28(23)39/h4,6,15-20,24-26,30-31,40-41,44-45H,5,7-14H2,1-3H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-4/b6-4+/t17-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
InChIKeyPOHOGCSKCVODEW-BHXKPVSNSA-J
ChEBI Ontology
Outgoing Relation(s)
asc-ωΔC5-CoA(4−) (CHEBI:166969) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
asc-ωΔC5-CoAUniProt
Citations