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CHEBI:69266 - Herdmanine A
| Formula | C22H23N5O5 |
| Net Charge | 0 |
| Average Mass | 437.456 |
| Monoisotopic Mass | 437.16992 |
| SMILES | N=C(N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2cnc3ccccc23)cc1)C(=O)O |
| 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 |
| 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 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 | Source |
|---|---|
| (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 |
| Citations |
|---|