EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:213415 - Nostoc-756
| Formula | C34H52N4O15 |
| Net Charge | 0 |
| Average Mass | 756.803 |
| Monoisotopic Mass | 756.34292 |
| SMILES | COC1=C(NC(CCCN=C2CC(O)(CO)C=C(NCCCC(NC3=C(OC)C(=O)CC(O)(CO)C3)C(=O)O)C2OC)C(=O)O)CC(O)(CO)CC1=O |
| InChI | InChI=1S/C34H52N4O15/c1-51-27-21(35-8-4-6-19(30(44)45)37-23-12-33(49,17-40)14-25(42)28(23)52-2)10-32(48,16-39)11-22(27)36-9-5-7-20(31(46)47)38-24-13-34(50,18-41)15-26(43)29(24)53-3/h10,19-20,27,35,37-41,48-50H,4-9,11-18H2,1-3H3,(H,44,45)(H,46,47) |
| InChIKey | CDTDYVVOESBGRU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nostoc commune (ncbitaxon:1178) | - | DOI (10.1111/pre.12333) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Nostoc-756 (CHEBI:213415) is a α-amino acid (CHEBI:33704) |
| IUPAC Name |
|---|
| 5-[[5-[4-carboxy-4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]butyl]imino-3-hydroxy-3-(hydroxymethyl)-6-methoxycyclohexen-1-yl]amino]-2-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanoic acid |