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:70597 - Penasin D
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Penasin D
ChEBI ID
CHEBI:70597
Definition
A natural product found in
Penares
species.
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
C29H57NO2
Net Charge
0
Average Mass
451.76840
Monoisotopic Mass
451.43893
InChI
InChI=1S/C29H57NO2/c1-
3-
4-
5-
6-
16-
19-
22-
26(2)
23-
20-
17-
14-
12-
10-
8-
7-
9-
11-
13-
15-
18-
21-
24-
28-
29(31)
27(30)
25-
32-
28/h7,9,26-
29,31H,3-
6,8,10-
25,30H2,1-
2H3/b9-
7-
/t26?,27-
,28-
,29-
/m0/s1
InChIKey
BACNCVMSOBUKPQ-VUDYHDPXSA-N
SMILES
CCCCCCCCC(C)CCCCCCC\C=C/CCCCCC[C@@H]1OC[C@H](N)[C@@H]1O
Metabolite of Species
Details
Penares
(NCBI:txid77185)
The sponge was extracted with MeOH and CHCl3/MeOH and compound is mixture of three Positional isomer 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
Penasin D (
CHEBI:70597
)
has role
metabolite (
CHEBI:25212
)
Penasin D (
CHEBI:70597
)
is a
monosaccharide (
CHEBI:35381
)
Synonym
Source
(2S,3S,4S)-4-Amino-2-[(7Z)-16-methyl-7-tetracosen-1-yl]tetrahydro-3-furanol
ChEBI
Citation
Type
Source
20949915
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:amino alcohol(CHEBI:22478); ISA:ether(CHEBI:25698); ISA:alkylamine(CHEBI:13759);