Search MNXref
 Feedback

Trichloroethanol glucuronide

PropertiesImage
MNX_IDMNXM13157 Image of MNXM13157
referencechebi:35021
formulaC8H11Cl3O7
global charge0
mol weight325.528
InChIKeyIQOASJJGUQMXDW-GHQVIJFQSA-N
InChIInChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1
SMILESO=C(O)[C@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1 Image of MNXM13157
SMILES (mnx)[CH2:1]([C:8]([Cl:9])([Cl:10])[Cl:11])[O:17][C@H:7]1[C@H:4]([OH:14])[C@@H:2]([OH:12])[C@H:3]([OH:13])[C@@H:5]([C:6](=[O:15])[OH:16])[O:18]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:35021
chebi:35021
IQOASJJGUQMXDW-GHQVIJFQSA-N 		Trichloroethanol glucuronide
2,2,2-trichloroethyl beta-D-Glucopyranosiduronic acid
Urochloralic acid

vmhM:M03042
vmhmetabolite:M03042
IQOASJJGUQMXDW-GHQVIJFQSA-M 		Trichloroethanol glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,2,2-trichloroethoxy)oxane-2-carboxylic acid
hmdb:HMDB0042049
IQOASJJGUQMXDW-GHQVIJFQSA-N 		Trichloroethanol glucuronide
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,2,2-trichloroethoxy)oxane-2-carboxylic acid
2,2,2-Trichloroethyl b-D-glucopyranosiduronate
2,2,2-Trichloroethyl b-D-glucopyranosiduronic acid
2,2,2-Trichloroethyl beta-D-glucopyranosiduronate
2,2,2-Trichloroethyl beta-D-glucopyranosiduronic acid
Urochloralate
Urochloralic acid
trichloroethanol glucuronide

kegg.compound:C14869
keggC:C14869
IQOASJJGUQMXDW-GHQVIJFQSA-N 		Trichloroethanol glucuronide
2,2,2-Trichloroethyl beta-D-glucopyranosiduronic acid
Urochloralic acid

seed.compound:cpd10566
seedM:cpd10566
IQOASJJGUQMXDW-GHQVIJFQSA-M 		Urochloralic acid
2,2,2-Trichloroethyl beta-D-glucopyranosiduronic acid
2,2,2-trichloroethyl beta-D-Glucopyranosiduronic acid
Trichloroethanol glucuronide

hmdb:HMDB42049
keggC:M_C14869
seedM:M_cpd10566
vmhM:M_M03042 		secondary/obsolete/fantasy identifier