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- ChemComp-GA4: GIBBERELLIN A4 -

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Basic information

EntryDatabase: PDB chemical components / ID: GA4
NameName: gibberellin A4

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Chemical information

Composition
Formula: C19H24O5 / Number of atoms: 48 / Formula weight: 332.391 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: GA4
History
Create componentNov 26, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)C4C21CC(\C(=C)C1)CCC2C35OC(=O)C(C)(C34)C(O)CC5
CACTVS 3.341C[C]12[CH](O)CC[C]3(OC1=O)[CH]4CC[CH]5C[C]4(CC5=C)[CH]([CH]23)C(O)=O
OpenEye OEToolkits 1.5.0CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O

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SMILES CANONICAL

CACTVS 3.341C[C@]12[C@@H](O)CC[C@@]3(OC1=O)[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O

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InChI

InChI 1.03InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1

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InChIKey

InChI 1.03RSQSQJNRHICNNH-NFMPGMCNSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid

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PDB entries

Showing all 4 items

PDB-1kfa:
Crystal structure of Fab fragment complexed with gibberellin A4

PDB-2zsi:
Structural basis of gibberellin(GA4)-induced DELLA recognition by the gibberellin receptor

PDB-3ebl:
Crystal Structure of Rice GID1 complexed with GA4

PDB-6ku3:
Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice

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