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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:65582 - Carmabin A
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ChEBI Ontology
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ChEBI Name
Carmabin A
ChEBI ID
CHEBI:65582
Definition
A natural product found in
Lyngbya majuscula
and
Lyngbya majuscula
.
Stars
This entity has been manually annotated by a third party.
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Formula
C40H57N5O6
Net Charge
0
Average Mass
703.91050
Monoisotopic Mass
703.43088
InChI
InChI=1S/C40H57N5O6/c1-
10-
11-
12-
14-
17-
27(2)
24-
28(3)
38(48)
45(8)
35(26-
31-
18-
15-
13-
16-
19-
31)
37(47)
42-
29(4)
39(49)
43(6)
30(5)
40(50)
44(7)
34(36(41)
46)
25-
32-
20-
22-
33(51-
9)
23-
21-
32/h1,13,15-
16,18-
23,27-
30,34-
35H,11-
12,14,17,24-
26H2,2-
9H3,(H2,41,46)
(H,42,47)
/t27?,28?,29-
,30-
,34-
,35-
/m0/s1
InChIKey
BRWIYXLUWTZWGU-PBQPNXEGSA-N
SMILES
COc1ccc(C[C@H]
(N(C)
C(=O)
[C@H]
(C)
N(C)
C(=O)
[C@H]
(C)
NC(=O)
[C@H]
(Cc2ccccc2)
N(C)
C(=O)
C(C)
CC(C)
CCCCC#C)
C(N)
=O)
cc1
Metabolite of Species
Details
Lyngbya majuscula
(NCBI:txid158786)
Panamanian strain of the marine cyanobacterium See:
PubMed
Lyngbya majuscula
(NCBI:txid158786)
Caribbean variety of Marine cyanobacterium 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
Carmabin A (
CHEBI:65582
)
has role
metabolite (
CHEBI:25212
)
Carmabin A (
CHEBI:65582
)
is a
peptide (
CHEBI:16670
)
Synonym
Source
N-
[(2S)-
1-
[[(2S)-
1-
[[(2S)-
1-
[[(2S)-
1-
amino-
3-
(4-
methoxyphenyl)-
1-
oxopropan-
2-
yl]-
methylamino]-
1-
oxopropan-
2-
yl]-
methylamino]-
1-
oxopropan-
2-
yl]amino]-
1-
oxo-
3-
phenylpropan-
2-
yl]-
N,2,4-
trimethyldec-
9-
ynamide
ChEBI
Citations
Types
Sources
17441769
PubMed citation
Europe PMC
9584405
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:N-acyl-amino acid(CHEBI:51569); ISA:amino acid amide(CHEBI:22475); ISA:amine(CHEBI:32952); ISA:amphetamines(CHEBI:35338); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:fatty amide(CHEBI:29348); ISA:carboxamide(CHEBI:37622); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:organic heterocyclic compound(CHEBI:24532); ISA:carbonyl compound(CHEBI:36586);