CHEBI:139629 - ascr#14-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 ascr#14-CoA(4-)
ChEBI ID CHEBI:139629
Definition Conjugate base of ascr#14-CoA
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
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Formula C35H56N7O21P3S
Net Charge -4
Average Mass 1035.842
Monoisotopic Mass 1035.24848
InChI InChI=1S/C35H60N7O21P3S/c1-19(59-34-22(44)14-21(43)20(2)60-34)8-6-5-7-9-25(46)67-13-12-37-24(45)10-11-38-32(49)29(48)35(3,4)16-58-66(55,56)63-65(53,54)57-15-23-28(62-64(50,51)52)27(47)33(61-23)42-18-41-26-30(36)39-17-40-31(26)42/h17-23,27-29,33-34,43-44,47-48H,5-16H2,1-4H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/p-4/t19-,20+,21-,22-,23-,27-,28-,29+,33-,34-/m1/s1
InChIKey RZUKLRGQPVCBLQ-NNDSVNHDSA-J
SMILES C[C@H](CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O
ChEBI Ontology
Outgoing ascr#14-CoA(4-) (CHEBI:139629) is a organic molecular entity (CHEBI:50860)