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RTL : Summary
Code
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RTL
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One-letter code
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X
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Molecule name
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RETINOL
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Systematic names
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Formula
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C20 H30 O
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Formal charge
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0
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Molecular weight
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286.452 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C1(CCCC(=C1\C=C\C(=C\C=C\C(=C\CO)C)C)C)(C)C |
SMILES
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CACTVS |
3.385 |
CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C |
Canonical SMILES
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CACTVS |
3.385 |
CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C |
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IUPAC InChI | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
IUPAC InChI key | FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
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wwPDB Information |
Atom count
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51 (21 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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1999-07-08
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Last modified at
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2020-09-03
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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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