"""Auto-generated monosaccharide data"""
# DO NOT EDIT - generated by gen_monosachs.py
import warnings
from enum import StrEnum
from .dclass import MonosaccharideInfo
[docs]
class Monosaccharide(StrEnum):
"""Enumeration of monosaccharide names."""
Sug = "Sug"
Tri = "Tri"
Tet = "Tet"
Pen = "Pen"
Hex = "Hex"
Hep = "Hep"
Oct = "Oct"
Non = "Non"
Dec = "Dec"
Sulfate = "Sulfate"
Phosphate = "Phosphate"
dHex = "dHex"
Fuc = "Fuc"
en_aHex = "en,aHex"
HexN = "HexN"
aHex = "aHex"
HexNAc = "HexNAc"
HexNS = "HexNS"
HexS = "HexS"
HexP = "HexP"
Neu = "Neu"
HexNAcS = "HexNAcS"
NeuAc = "NeuAc"
NeuGc = "NeuGc"
[docs]
@classmethod
def from_str(cls, name: str) -> "Monosaccharide":
"""Get Monosaccharide enum from string"""
return cls(name)
try:
MONOSACCHARIDES: dict[Monosaccharide, MonosaccharideInfo] = {
Monosaccharide.Sug: MonosaccharideInfo(
id="0A2A057A",
name=Monosaccharide.Sug,
formula="C2H2O1",
monoisotopic_mass=42.0105646837,
average_mass=42.03675822590033,
dict_composition={'C': 2, 'H': 2, 'O': 1},
),
Monosaccharide.Tri: MonosaccharideInfo(
id="6BAAE1B1",
name=Monosaccharide.Tri,
formula="C3H4O2",
monoisotopic_mass=72.0211293674,
average_mass=72.06278055506542,
dict_composition={'C': 3, 'H': 4, 'O': 2},
),
Monosaccharide.Tet: MonosaccharideInfo(
id="2281E39B",
name=Monosaccharide.Tet,
formula="C4H6O3",
monoisotopic_mass=102.031694051,
average_mass=102.08880288423049,
dict_composition={'C': 4, 'H': 6, 'O': 3},
),
Monosaccharide.Pen: MonosaccharideInfo(
id="1559E00E",
name=Monosaccharide.Pen,
formula="C5H8O4",
monoisotopic_mass=132.042258735,
average_mass=132.11482521339556,
dict_composition={'C': 5, 'H': 8, 'O': 4},
),
Monosaccharide.Hex: MonosaccharideInfo(
id="7AB4EB73",
name=Monosaccharide.Hex,
formula="C6H10O5",
monoisotopic_mass=162.052823418,
average_mass=162.14084754256064,
dict_composition={'C': 6, 'H': 10, 'O': 5},
),
Monosaccharide.Hep: MonosaccharideInfo(
id="077F5949",
name=Monosaccharide.Hep,
formula="C7H12O6",
monoisotopic_mass=192.063388102,
average_mass=192.16686987172574,
dict_composition={'C': 7, 'H': 12, 'O': 6},
),
Monosaccharide.Oct: MonosaccharideInfo(
id="6FD0344F",
name=Monosaccharide.Oct,
formula="C8H14O7",
monoisotopic_mass=222.073952786,
average_mass=222.1928922008908,
dict_composition={'C': 8, 'H': 14, 'O': 7},
),
Monosaccharide.Non: MonosaccharideInfo(
id="2CC56422",
name=Monosaccharide.Non,
formula="C9H16O8",
monoisotopic_mass=252.08451747,
average_mass=252.21891453005588,
dict_composition={'C': 9, 'H': 16, 'O': 8},
),
Monosaccharide.Dec: MonosaccharideInfo(
id="2F3DD9C9",
name=Monosaccharide.Dec,
formula="C10H18O9",
monoisotopic_mass=282.095082153,
average_mass=282.24493685922096,
dict_composition={'C': 10, 'H': 18, 'O': 9},
),
Monosaccharide.Sulfate: MonosaccharideInfo(
id="70565C17",
name=Monosaccharide.Sulfate,
formula="H0O3S1",
monoisotopic_mass=79.9568148587,
average_mass=80.0630021790819,
dict_composition={'O': 3, 'S': 1},
),
Monosaccharide.Phosphate: MonosaccharideInfo(
id="095E7DD0",
name=Monosaccharide.Phosphate,
formula="H1O3P1",
monoisotopic_mass=79.9663305208,
average_mass=79.97991752543061,
dict_composition={'H': 1, 'O': 3, 'P': 1},
),
Monosaccharide.dHex: MonosaccharideInfo(
id="0C4F1FA5",
name=Monosaccharide.dHex,
formula="C6H10O4",
monoisotopic_mass=146.057908799,
average_mass=146.14144261824237,
dict_composition={'C': 6, 'H': 10, 'O': 4},
),
Monosaccharide.Fuc: MonosaccharideInfo(
id="61947BA4",
name=Monosaccharide.Fuc,
formula="C6H10O4",
monoisotopic_mass=146.057908799,
average_mass=146.14144261824237,
dict_composition={'C': 6, 'H': 10, 'O': 4},
),
Monosaccharide.en_aHex: MonosaccharideInfo(
id="3E923C03",
name=Monosaccharide.en_aHex,
formula="C6H6O5",
monoisotopic_mass=158.02152329,
average_mass=158.10908452633754,
dict_composition={'C': 6, 'H': 6, 'O': 5},
),
Monosaccharide.HexN: MonosaccharideInfo(
id="14908737",
name=Monosaccharide.HexN,
formula="C6H11N1O4",
monoisotopic_mass=161.068807836,
average_mass=161.15608658374396,
dict_composition={'C': 6, 'H': 11, 'N': 1, 'O': 4},
),
Monosaccharide.aHex: MonosaccharideInfo(
id="0996D6B5",
name=Monosaccharide.aHex,
formula="C6H8O6",
monoisotopic_mass=176.032087974,
average_mass=176.12437095876737,
dict_composition={'C': 6, 'H': 8, 'O': 6},
),
Monosaccharide.HexNAc: MonosaccharideInfo(
id="5E288A08",
name=Monosaccharide.HexNAc,
formula="C8H13N1O5",
monoisotopic_mass=203.07937252,
average_mass=203.19284480964427,
dict_composition={'C': 8, 'H': 13, 'N': 1, 'O': 5},
),
Monosaccharide.HexNS: MonosaccharideInfo(
id="695E0092",
name=Monosaccharide.HexNS,
formula="C6H11N1O7S1",
monoisotopic_mass=241.025622694,
average_mass=241.21908876282586,
dict_composition={'C': 6, 'H': 11, 'N': 1, 'O': 7, 'S': 1},
),
Monosaccharide.HexS: MonosaccharideInfo(
id="252FAE19",
name=Monosaccharide.HexS,
formula="C6H10O8S1",
monoisotopic_mass=242.009638277,
average_mass=242.20384972164254,
dict_composition={'C': 6, 'H': 10, 'O': 8, 'S': 1},
),
Monosaccharide.HexP: MonosaccharideInfo(
id="27AA9097",
name=Monosaccharide.HexP,
formula="C6H11O8P1",
monoisotopic_mass=242.019153939,
average_mass=242.12076506799127,
dict_composition={'C': 6, 'H': 11, 'O': 8, 'P': 1},
),
Monosaccharide.Neu: MonosaccharideInfo(
id="513BD0C1",
name=Monosaccharide.Neu,
formula="C9H15N1O7",
monoisotopic_mass=249.084851823,
average_mass=249.21827206312764,
dict_composition={'C': 9, 'H': 15, 'N': 1, 'O': 7},
),
Monosaccharide.HexNAcS: MonosaccharideInfo(
id="2D673195",
name=Monosaccharide.HexNAcS,
formula="C8H13N1O8S1",
monoisotopic_mass=283.036187378,
average_mass=283.25584698872615,
dict_composition={'C': 8, 'H': 13, 'N': 1, 'O': 8, 'S': 1},
),
Monosaccharide.NeuAc: MonosaccharideInfo(
id="2A76C372",
name=Monosaccharide.NeuAc,
formula="C11H17N1O8",
monoisotopic_mass=291.095416506,
average_mass=291.25503028902796,
dict_composition={'C': 11, 'H': 17, 'N': 1, 'O': 8},
),
Monosaccharide.NeuGc: MonosaccharideInfo(
id="4DB3A9FC",
name=Monosaccharide.NeuGc,
formula="C11H17N1O9",
monoisotopic_mass=307.090331126,
average_mass=307.25443521334626,
dict_composition={'C': 11, 'H': 17, 'N': 1, 'O': 9},
),
}
except Exception as e:
warnings.warn(
f"Exception in monosaccharides_data: {e}. Using empty dictionaries.",
UserWarning,
stacklevel=2
)
MONOSACCHARIDES: dict[Monosaccharide, MonosaccharideInfo] = {}