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OAS : Summary
Code
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OAS
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One-letter code
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S
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Molecule name
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O-ACETYLSERINE
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Systematic names
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Formula
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C5 H9 N O4
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Formal charge
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0
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Molecular weight
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147.129 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(OCC(N)C(=O)O)C |
SMILES
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CACTVS |
3.341 |
CC(=O)OC[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)OCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)OC[C@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)OC[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 |
IUPAC InChI key | VZXPDPZARILFQX-BYPYZUCNSA-N |
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wwPDB Information |
Atom count
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19 (10 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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SER
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Defined at
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2000-02-01
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Last modified at
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2023-11-03
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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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