CHEBI:166969 - asc-ωΔC5-CoA(4−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name asc-ωΔC5-CoA(4−)
ChEBI ID CHEBI:166969
ChEBI ASCII Name asc-omegaDeltaC5-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C32H48N7O21P3S
Net Charge -4
Average Mass 991.750
Monoisotopic Mass 991.18588
InChI InChI=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
InChIKey POHOGCSKCVODEW-BHXKPVSNSA-J
SMILES C[C@@H]1O[C@H]([C@H](O)C[C@H]1O)OCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O
ChEBI Ontology
Outgoing asc-ωΔC5-CoA(4−) (CHEBI:166969) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
asc-ωΔC5-CoA UniProt
Citation Waiting for Citations Type Source
25775534 PubMed citation SUBMITTER