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CHEBI:69267 - Herdmanine B
| Formula | C22H23N5O6 |
| Net Charge | 0 |
| Average Mass | 453.455 |
| Monoisotopic Mass | 453.16483 |
| SMILES | N=C(N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2cnc3cc(O)ccc23)cc1)C(=O)O |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Herdmania momus (ncbitaxon:7733) | - | PubMed (21770369) | Combined methanol and methylene chloride extract of frozened and chopped ascidians |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| 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 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 | Source |
|---|---|
| N2-(4-{[(6-Hydroxy-1H-indol-3-yl)carbonyl]oxy}benzoyl)-D-arginine | ChEBI |
| (2R)-5-(diaminomethylideneamino)-2-[[4-(6-hydroxy-1H-indole-3-carbonyl)oxybenzoyl]amino]pentanoic acid | ChEBI |
| Citations |
|---|