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CHEBI:221603 - Cyanopeptolin CP1048
| Formula | C52H76N10O13 |
| Net Charge | 0 |
| Average Mass | 1049.237 |
| Monoisotopic Mass | 1048.55933 |
| SMILES | CCCCCCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CCCN=C(N)N)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(CCc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C |
| InChI | InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55) |
| InChIKey | VYXPXPDSGOMRCH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nostoc (ncbitaxon:1177) | - | PubMed (29949853) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyanopeptolin CP1048 (CHEBI:221603) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 4-[[2-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(octanoylamino)-4-oxobutanoic acid |