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7'-Hydroxy ABA

CAT: 0013-GTR19217467-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217467-01Size:5 mg
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Description
7'-Hydroxy ABA is an oxidative metabolite of abscisic acid (ABA) formed via hydroxylation at the 7'-position, retaining significant biological activity. It is used in plant stress physiology research to study ABA catabolism, signaling pathways, and hormonal regulation in both in vitro and in vivo experimental systems.
CAS Number
91897-25-5
Smiles
C (=C/C (=C\C (O) =O) /C) \[C@@]1 (O) C (CO) =CC (=O) CC1 (C) C
Molecular Formula
C15H20O5
Molecular Weight
280.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7'-Hydroxyabscisic acid

7'-hydroxyabscisic acid is an oxo monocarboxylic acid that is abscisic acid in which a hydroxymethyl group replaces the methyl substituent beta- to the keto group. It is a primary alcohol, a tertiary alcohol and an oxo monocarboxylic acid. It is functionally related to a 2-cis-abscisic acid.

CAS Number91897-25-5
PubChem CID15694667
IUPAC Name(2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Molecular FormulaC15H20O5
Molecular Weight280.32
XLogP0.9
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity510
SMILES
C/C(=C/C(=O)O)/C=C/C1(C(=CC(=O)CC1(C)C)CO)O
InChI
InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-
InChIKey
ZGHRCSAIMSBFLK-IGTFLHFFSA-N
Chemical Structure
2D Structure
2D structure of 7'-Hydroxyabscisic acid
CAS: 91897-25-5
CID: 15694667
Formula: C15H20O5
MW: 280.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.32
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass280.13107373
Monoisotopic Mass280.13107373
Topological Polar Surface Area94.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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