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ChEBI
> Main
CHEBI:69267 - Herdmanine B
Main
ChEBI Ontology
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ChEBI Name
Herdmanine B
ChEBI ID
CHEBI:69267
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
C22H23N5O6
Net Charge
0
Average Mass
453.44790
Monoisotopic Mass
453.16483
InChI
InChI=1S/C22H23N5O6/c23-
22(24)
25-
9-
1-
2-
17(20(30)
31)
27-
19(29)
12-
3-
6-
14(7-
4-
12)
33-
21(32)
16-
11-
26-
18-
10-
13(28)
5-
8-
15(16)
18/h3-
8,10-
11,17,26,28H,1-
2,9H2,(H,27,29)
(H,30,31)
(H4,23,24,25)
/t17-
/m1/s1
InChIKey
KWPPWWBPUGGYLA-QGZVFWFLSA-N
SMILES
NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2c[nH]c3cc(O)ccc23)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 B (
CHEBI:69267
)
has role
metabolite (
CHEBI:25212
)
Herdmanine B (
CHEBI:69267
)
is a
N
-acyl-
D
-amino acid (
CHEBI:15778
)
Herdmanine B (
CHEBI:69267
)
is a
D
-arginine derivative (
CHEBI:83966
)
Herdmanine B (
CHEBI:69267
)
is a
guanidines (
CHEBI:24436
)
Herdmanine B (
CHEBI:69267
)
is a
heteroarenecarboxylate ester (
CHEBI:38064
)
Herdmanine B (
CHEBI:69267
)
is a
indoles (
CHEBI:24828
)
Synonyms
Sources
(2R)-
5-
(diaminomethylideneamino)-
2-
[[4-
(6-
hydroxy-
1H-
indole-
3-
carbonyl)oxybenzoyl]amino]pentanoic acid
ChEBI
N2-(4-{[(6-Hydroxy-1H-indol-3-yl)carbonyl]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:carbonyl compound(CHEBI:36586); ISA:pyrroles(CHEBI:26455); ISA:aralkylamine(CHEBI:18000); ISA:amino fatty acid(CHEBI:59650); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:guanidines(CHEBI:24436); ISA:carboxylic ester(CHEBI:33308); ISA:carboxamide(CHEBI:37622); ISA:polyol(CHEBI:26191); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854); ISA:imine(CHEBI:24783);