CHEBI:189693 - 2''-O-octanoyl-ADP-D-ribose(2−)

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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 2''-O-octanoyl-ADP-D-ribose(2−)
ChEBI ID CHEBI:189693
ChEBI ASCII Name 2''-O-octanoyl-ADP-D-ribose(2-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C23H35N5O15P2
Net Charge -2
Average Mass 683.502
Monoisotopic Mass 683.16159
InChI InChI=1S/C23H37N5O15P2/c1-2-3-4-5-6-7-14(29)42-19-17(31)13(41-23(19)33)9-39-45(36,37)43-44(34,35)38-8-12-16(30)18(32)22(40-12)28-11-27-15-20(24)25-10-26-21(15)28/h10-13,16-19,22-23,30-33H,2-9H2,1H3,(H,34,35)(H,36,37)(H2,24,25,26)/p-2/t12-,13-,16-,17-,18-,19-,22-,23?/m1/s1
InChIKey HMQLJKZQKUITKI-IUHSBPRQSA-L
SMILES O1C(O)[C@H](OC(CCCCCCC)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-]
ChEBI Ontology
Outgoing 2''-O-octanoyl-ADP-D-ribose(2−) (CHEBI:189693) is a O-acyl-ADP-D-ribose(2−) (CHEBI:138087)
Synonym Source
2''-O-octanoyl-ADP-D-ribose UniProt