CHEBI:69266 - Herdmanine A

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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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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 (Bronsted 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 Waiting for Citations 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);