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CHEBI:69268 - Herdmanine C

Default Structure
ChEBI IDCHEBI:69268
ChEBI NameHerdmanine C
Stars
DefinitionA natural product found in Herdmania momus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H22N4O6
Net Charge0
Average Mass414.418
Monoisotopic Mass414.15393
SMILESN=C(N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2ccc(O)cc2)cc1)C(=O)O
InChIInChI=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
InChIKeyAJMYUJYRCPUHHA-MRXNPFEDSA-N
Species of MetaboliteComponentSourceComments
Herdmania momus (ncbitaxon:7733) - PubMed (21770369) Combined methanol and methylene chloride extract of frozened and chopped ascidians
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Herdmanine C (CHEBI:69268) has role metabolite (CHEBI:25212)
Herdmanine C (CHEBI:69268) is a carbonyl compound (CHEBI:36586)
Synonyms  Source
(2R)-5-(diaminomethylideneamino)-2-[[4-(4-hydroxybenzoyl)oxybenzoyl]amino]pentanoic acidChEBI
N2-{4-[(4-Hydroxybenzoyl)oxy]benzoyl}-D-arginineChEBI
Citations