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ChEBI
> Main
CHEBI:69266 - Herdmanine A
Main
ChEBI Ontology
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ChEBI Name
Herdmanine A
ChEBI ID
CHEBI:69266
Definition
A natural product found in
Herdmania momus
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Molfile
Formula
C22H23N5O5
Net Charge
0
Average Mass
437.44850
Monoisotopic Mass
437.16992
InChI
InChI=1S/C22H23N5O5/c23-
22(24)
25-
11-
3-
6-
18(20(29)
30)
27-
19(28)
13-
7-
9-
14(10-
8-
13)
32-
21(31)
16-
12-
26-
17-
5-
2-
1-
4-
15(16)
17/h1-
2,4-
5,7-
10,12,18,26H,3,6,11H2,(H,27,28)
(H,29,30)
(H4,23,24,25)
/t18-
/m1/s1
InChIKey
WFXCKNBSVBTDLA-GOSISDBHSA-N
SMILES
NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2c[nH]c3ccccc23)cc1)C(O)=O
Metabolite of Species
Details
Herdmania momus
(NCBI:txid7733)
Combined methanol and methylene chloride extract of frozened and chopped ascidians See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
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
Herdmanine A (
CHEBI:69266
)
has role
metabolite (
CHEBI:25212
)
Herdmanine A (
CHEBI:69266
)
is a
N
-acyl-
D
-amino acid (
CHEBI:15778
)
Herdmanine A (
CHEBI:69266
)
is a
D
-arginine derivative (
CHEBI:83966
)
Herdmanine A (
CHEBI:69266
)
is a
guanidines (
CHEBI:24436
)
Herdmanine A (
CHEBI:69266
)
is a
heteroarenecarboxylate ester (
CHEBI:38064
)
Herdmanine A (
CHEBI:69266
)
is a
indoles (
CHEBI:24828
)
Synonyms
Sources
(2R)-5-(diaminomethylideneamino)-2-[[4-(1H-indole-3-carbonyloxy)benzoyl]amino]pentanoic acid
ChEBI
N2-{4-[(1H-Indol-3-ylcarbonyl)oxy]benzoyl}-D-arginine
ChEBI
Citation
Type
Source
21770369
PubMed citation
Europe PMC
Last Modified
01 December 2014
General Comment
2014-10-17
Suggested Classification: ISA:N-acyl-amino acid(CHEBI:51569); ISA:indolyl carboxylic acid(CHEBI:46867); ISA:alpha-amino acid(CHEBI:33704); ISA:phenols(CHEBI:33853); ISA:benzoate ester(CHEBI:36054); ISA:indoles(CHEBI:24828); ISA:benzoic acids(CHEBI:22723); ISA:pyrroles(CHEBI:26455); ISA:carbonyl compound(CHEBI:36586); ISA:amino fatty acid(CHEBI:59650); ISA:aralkylamine(CHEBI:18000); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:carboxylic ester(CHEBI:33308); ISA:carboxamide(CHEBI:37622); ISA:guanidines(CHEBI:24436); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:imine(CHEBI:24783);