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L-3-Sulfoalanine

View entire compound with spectra: 1 MS (GC)

L-3-Sulfoalanine
SpectraBase Compound ID K00NrQkGPKo
InChI InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
InChIKey XVOYSCVBGLVSOL-UWTATZPHSA-N
Mol Weight 169.15 g/mol
Molecular Formula C3H7NO5S
Exact Mass 169.004493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aJSxD6dVyK
Name L-3-Sulfoalanine
Alternate Name(s) Alanine, 3-sulfo-, L- Cepteic acid Cipteic acid Cysteic acid Cysteinic acid Cysteric acid L-Alanine, 3-sulfo- L-Cysteic acid
CAS Registry Number 13100-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H7NO5S
InChI InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
InChIKey XVOYSCVBGLVSOL-UWTATZPHSA-N
Molecular Weight 169.151 g/mol
SMILES OC([C@@](CS(=O)(=O)O)(N)[H])=O
SPLASH splash10-03di-9000000000-6130cce95df94ef8e1ba
Source of Spectrum NP-2-3942-0
Wiley ID 1100908