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:67315 - Malyngamide 3
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Malyngamide 3
ChEBI ID
CHEBI:67315
Definition
A natural product found in
Lyngbya majuscula
.
Stars
This entity has been manually annotated by a third party.
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
C28H47ClN2O7
Net Charge
0
Average Mass
559.13500
Monoisotopic Mass
558.30718
InChI
InChI=1S/C28H47ClN2O7/c1-
5-
6-
7-
8-
10-
13-
25(37-
3)
14-
11-
9-
12-
15-
27(35)
31(2)
21-
22(19-
29)
16-
23(32)
17-
26(34)
30-
20-
24(33)
18-
28(36)
38-
4/h9,11,19,24-
25,33H,5-
8,10,12-
18,20-
21H2,1-
4H3,(H,30,34)
/b11-
9+,22-
19-
/t24-
,25+/m1/s1
InChIKey
FGRVZQUFZGRBFK-RBZBVOEWSA-N
SMILES
CCCCCCC[C@@H](C\C=C\CCC(=O)N(C)C\C(CC(=O)CC(=O)NC[C@H](O)CC(=O)OC)=C/Cl)OC
Metabolite of Species
Details
Lyngbya majuscula
(NCBI:txid158786)
Lipophilic extract afforded by extraction of freeze-dried material with EtOAc-MeOH (1:1) See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Malyngamide 3 (
CHEBI:67315
)
has functional parent
γ-amino acid (
CHEBI:33707
)
Malyngamide 3 (
CHEBI:67315
)
has role
metabolite (
CHEBI:25212
)
Malyngamide 3 (
CHEBI:67315
)
is a
organonitrogen compound (
CHEBI:35352
)
Malyngamide 3 (
CHEBI:67315
)
is a
organooxygen compound (
CHEBI:36963
)
Synonym
Source
Methyl (3R)-
4-
{[(5Z)-
6-
chloro-
5-
({[(4E,7S)-
7-
methoxy-
4-
tetradecenoyl](methyl)amino}methyl)-
3-
oxo-
5-
hexenoyl]amino}-
3-
hydroxybutanoate
ChEBI
Citation
Type
Source
21341718
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:fatty acid methyl ester(CHEBI:4986); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:ketone(CHEBI:17087); ISA:organic amino compound(CHEBI:50047); ISA:carbonyl compound(CHEBI:36586); ISA:fatty amide(CHEBI:29348); ISA:carboxylic ester(CHEBI:33308); ISA:carboxamide(CHEBI:37622); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:chloroalkene(CHEBI:36387); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:organochlorine compound(CHEBI:36683); ISA:organonitrogen compound(CHEBI:35352);