Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:55530 - (
R
)-3-(5-benzyloxyindol-3-yl)lactic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
R
)-3-(5-benzyloxyindol-3-yl)lactic acid
ChEBI ID
CHEBI:55530
ChEBI ASCII Name
(R)-3-(5-benzyloxyindol-3-yl)lactic acid
Definition
A propanoic acid derivative having an (
R
)-hydroxy substituent at the 2-position and a 5-benzyloxy-1
H
-indol-3-yl group at the 3-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C18H17NO4
Net Charge
0
Average Mass
311.33190
Monoisotopic Mass
311.11576
InChI
InChI=1S/C18H17NO4/c20-
17(18(21)
22)
8-
13-
10-
19-
16-
7-
6-
14(9-
15(13)
16)
23-
11-
12-
4-
2-
1-
3-
5-
12/h1-
7,9-
10,17,19-
20H,8,11H2,(H,21,22)
/t17-
/m1/s1
InChIKey
WUWWQOPSMGVQAG-QGZVFWFLSA-N
SMILES
O[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
R
)-3-(5-benzyloxyindol-3-yl)lactic acid (
CHEBI:55530
)
has functional parent
1
H
-indole (
CHEBI:16881
)
(
R
)-3-(5-benzyloxyindol-3-yl)lactic acid (
CHEBI:55530
)
has functional parent
propionic acid (
CHEBI:30768
)
(
R
)-3-(5-benzyloxyindol-3-yl)lactic acid (
CHEBI:55530
)
is a
(2
R
)-2-hydroxy monocarboxylic acid (
CHEBI:17893
)
(
R
)-3-(5-benzyloxyindol-3-yl)lactic acid (
CHEBI:55530
)
is conjugate acid of
(
R
)-3-(5-benzyloxyindol-3-yl)lactate (
CHEBI:55531
)
Incoming
(
R
)-3-(5-benzyloxyindol-3-yl)lactate (
CHEBI:55531
)
is conjugate base of
(
R
)-3-(5-benzyloxyindol-3-yl)lactic acid (
CHEBI:55530
)
IUPAC Name
(2
R
)-3-[5-(benzyloxy)-1
H
-indol-3-yl]-2-hydroxypropanoic acid
Last Modified
11 February 2010