CHEBI:192530 - A[3'-5']pA[3'-5']pAp[3'](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 A[3'-5']pA[3'-5']pAp[3'](4−)
ChEBI ID CHEBI:192530
ChEBI ASCII Name A[3'-5']pA[3'-5']pAp[3'](4-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information ChemicalBook:CB1851546
Download Molfile XML SDF
Formula C30H34N15O19P3
Net Charge -4
Average Mass 1001.611
Monoisotopic Mass 1001.13902
InChI InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-16(47)19(10(1-46)59-28)63-66(53,54)58-3-12-21(18(49)30(61-12)45-9-42-15-24(33)36-6-39-27(15)45)64-67(55,56)57-2-11-20(62-65(50,51)52)17(48)29(60-11)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/p-4/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
InChIKey XPLNTPPAJKTKAH-UQTMIEBXSA-J
SMILES [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])COP(O[C@@H]4[C@H](O[C@@H](N5C6=C(C(N)=NC=N6)N=C5)[C@@H]4O)COP(O[C@@H]7[C@H](O[C@@H](N8C9=C(C(N)=NC=N9)N=C8)[C@@H]7O)CO)([O-])=O)(=O)[O-]
ChEBI Ontology
Outgoing A[3'-5']pA[3'-5']pAp[3'](4−) (CHEBI:192530) is a oligonucleotide (CHEBI:7754)
A[3'-5']pA[3'-5']pAp[3'](4−) (CHEBI:192530) is a organophosphate oxoanion (CHEBI:58945)
Synonym Source
A[3'-5']pA[3'-5']pAp[3'] UniProt