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ZEA : Summary
Code
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ZEA
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One-letter code
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X
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Molecule name
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(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
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Synonyms
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TRANS-ZEATIN
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Systematic names
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Formula
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C10 H13 N5 O
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Formal charge
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0
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Molecular weight
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219.243 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n2c1c(ncn1)c(nc2)NC\C=C(/C)CO |
SMILES
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CACTVS |
3.385 |
CC(CO)=CCNc1ncnc2[nH]cnc12 |
SMILES
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OpenEye OEToolkits |
1.7.5 |
CC(=CCNc1c2c([nH]cn2)ncn1)CO |
Canonical SMILES
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CACTVS |
3.385 |
CC(/CO)=C\CNc1ncnc2[nH]cnc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.5 |
C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO |
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IUPAC InChI | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+ |
IUPAC InChI key | UZKQTCBAMSWPJD-FARCUNLSSA-N |
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wwPDB Information |
Atom count
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29 (16 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2004-06-23
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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