CHEBI:69268 - Herdmanine C

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ChEBI Name Herdmanine C
ChEBI ID CHEBI:69268
Definition A natural product found in Herdmania momus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H22N4O6
Net Charge 0
Average Mass 414.41190
Monoisotopic Mass 414.15393
InChI InChI=1S/C20H22N4O6/c21-20(22)23-11-1-2-16(18(27)28)24-17(26)12-5-9-15(10-6-12)30-19(29)13-3-7-14(25)8-4-13/h3-10,16,25H,1-2,11H2,(H,24,26)(H,27,28)(H4,21,22,23)/t16-/m1/s1
InChIKey AJMYUJYRCPUHHA-MRXNPFEDSA-N
SMILES NC(=N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2ccc(O)cc2)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
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 C (CHEBI:69268) has role metabolite (CHEBI:25212)
Herdmanine C (CHEBI:69268) is a carbonyl compound (CHEBI:36586)
Synonyms Sources
(2R)-5-(diaminomethylideneamino)-2-[[4-(4-hydroxybenzoyl)oxybenzoyl]amino]pentanoic acid ChEBI
N2-{4-[(4-Hydroxybenzoyl)oxy]benzoyl}-D-arginine ChEBI
Citation Waiting for Citations Type Source
21770369 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:N-acyl-amino acid(CHEBI:51569); ISA:N-acylglycine(CHEBI:16180); HFP:N-benzoylglycine(CHEBI:18089); ISA:alpha-amino acid(CHEBI:33704); ISA:benzoate ester(CHEBI:36054); ISA:phenols(CHEBI:33853); ISA:hydroxybenzoic acid(CHEBI:24676); ISA:benzyl ether(CHEBI:59859); 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:guanidines(CHEBI:24436); ISA:carboxamide(CHEBI:37622); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:organic heterocyclic compound(CHEBI:24532); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854); ISA:imine(CHEBI:24783);