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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:68080 - (cyclo(L-Val-D-Ile-L-Leu-L-pro-D-Leu))
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ChEBI Name
(cyclo(L-Val-D-Ile-L-Leu-L-pro-D-Leu))
ChEBI ID
CHEBI:68080
Definition
A natural product found in
Xylaria
species.
Stars
This entity has been manually annotated by a third party.
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Formula
C28H49N5O5
Net Charge
0
Average Mass
535.71920
Monoisotopic Mass
535.37337
InChI
InChI=1S/C28H49N5O5/c1-
9-
18(8)
23-
27(37)
30-
20(14-
16(4)
5)
28(38)
33-
12-
10-
11-
21(33)
25(35)
29-
19(13-
15(2)
3)
24(34)
31-
22(17(6)
7)
26(36)
32-
23/h15-
23H,9-
14H2,1-
8H3,(H,29,35)
(H,30,37)
(H,31,34)
(H,32,36)
/t18-
,19-
,20+,21+,22+,23-
/m1/s1
InChIKey
XPNFTYQQDGDCDD-NURQPWONSA-N
SMILES
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)C(C)C
Metabolite of Species
Details
Xylaria
(NCBI:txid37991)
Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
(cyclo(L-Val-D-Ile-L-Leu-L-pro-D-Leu)) (
CHEBI:68080
)
has role
metabolite (
CHEBI:25212
)
(cyclo(L-Val-D-Ile-L-Leu-L-pro-D-Leu)) (
CHEBI:68080
)
is a
cyclic peptide (
CHEBI:23449
)
Citation
Type
Source
21428374
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:carboxamide(CHEBI:37622); ISA:pyrrolidines(CHEBI:38260); ISA:tertiary amine(CHEBI:32876); ISA:lactam(CHEBI:24995); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);