CHEBI:69267 - Herdmanine B

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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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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 (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 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 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: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);