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:57450 - 5(
S
)-HPETE(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
5(
S
)-HPETE(1−)
ChEBI ID
CHEBI:57450
ChEBI ASCII Name
5(S)-HPETE(1-)
Definition
Conjugate base of 5(
S
)-HPETE arising from deprotonation of the carboxylic acid function.
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
C20H31O4
Net Charge
-1
Average Mass
335.45770
Monoisotopic Mass
335.22278
InChI
InChI=1S/C20H32O4/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
16-
19(24-
23)
17-
15-
18-
20(21)
22/h6-
7,9-
10,12-
14,16,19,23H,2-
5,8,11,15,17-
18H2,1H3,(H,21,22)
/p-
1/b7-
6-
,10-
9-
,13-
12-
,16-
14+/t19-
/m1/s1
InChIKey
JNUUNUQHXIOFDA-JGKLHWIESA-M
SMILES
CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC([O-])=O)OO
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5(
S
)-HPETE(1−) (
CHEBI:57450
)
has role
human metabolite (
CHEBI:77746
)
5(
S
)-HPETE(1−) (
CHEBI:57450
)
is a
HPETE anion (
CHEBI:59720
)
5(
S
)-HPETE(1−) (
CHEBI:57450
)
is conjugate base of
5(
S
)-HPETE (
CHEBI:15632
)
5(
S
)-HPETE(1−) (
CHEBI:57450
)
is enantiomer of
5(
R
)-HPETE(1−) (
CHEBI:193570
)
Incoming
5(
S
)-HPETE (
CHEBI:15632
)
is conjugate acid of
5(
S
)-HPETE(1−) (
CHEBI:57450
)
5(
R
)-HPETE(1−) (
CHEBI:193570
)
is enantiomer of
5(
S
)-HPETE(1−) (
CHEBI:57450
)
IUPAC Name
(5
S
,6
E
,8
Z
,11
Z
,14
Z
)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
Synonyms
Sources
(5
S
)-hydroperoxy-(6
E
,8
Z
,11
Z
,14
Z
)-eicosatetraenoate
UniProt
5(
S
)-HPETE anion
ChEBI
Manual Xref
Database
HMDB0011135
HMDB
View more database links
Last Modified
03 October 2016