Terminology Service for NFDI4Health
lithocholate-3-O-beta-D-glucoside(1-)
Go to external page
http://purl.obolibrary.org/obo/CHEBI_142611
Term info
Label
lithocholate-3-O-beta-D-glucoside(1-)
Subsets
2_STAR
charge
-1
formula
C30H49O8
has obo namespace
chebi_ontology
has related synonym
3beta-D-glucosido-lithocholate(1-), LCA 3-glucoside(1-), 3alpha,5beta-cholan-24-oate 3-O-(beta-D-glucoside)(1-), beta-D-glucosyl-(1->3)-O-lithocholate
id
CHEBI:142611
inchi
InChI=1S/C30H50O8/c1-16(4-9-24(32)33)20-7-8-21-19-6-5-17-14-18(10-12-29(17,2)22(19)11-13-30(20,21)3)37-28-27(36)26(35)25(34)23(15-31)38-28/h16-23,25-28,31,34-36H,4-15H2,1-3H3,(H,32,33)/p-1/t16-,17-,18-,19+,20-,21+,22+,23-,25-,26+,27-,28-,29+,30-/m1/s1
inchikey
OAKSTNPCHNFJFI-IPFQDVGCSA-M
mass
537.706
monoisotopicmass
537.34329
smiles
C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C