Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

(+)-Abscisic Acid

(+)-Abscisic Acid synonyms


Graphical representations:


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Molecular Formula: C15H20O4

Natural Isotopic Abundance Mass: 264.3169

Mono-Isotopic Molecular Masses:

  • C12N14: 264.13615912
  • C13N14: 279.18648169
  • C12N15: 264.13615912
  • C13N15: 279.18648169

InChI string: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1

IUPAC: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid

BMRB Ligand Expo: A8S
PubChem Compound (CID): 5280896

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,