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CHEBI:213869 - Cyanopeptolin CP978
| Formula | C48H67N9O13 |
| Net Charge | 0 |
| Average Mass | 978.114 |
| Monoisotopic Mass | 977.48583 |
| SMILES | CCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CCCCC(=N)N)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C |
| InChI | InChI=1S/C48H67N9O13/c1-6-12-37(59)51-33(25-39(61)62)43(64)55-41-27(4)70-48(69)40(26(2)3)54-44(65)34(23-29-17-19-30(58)20-18-29)56(5)47(68)35(24-28-13-8-7-9-14-28)57-38(60)22-21-32(46(57)67)53-42(63)31(52-45(41)66)15-10-11-16-36(49)50/h7-9,13-14,17-20,26-27,31-35,38,40-41,58,60H,6,10-12,15-16,21-25H2,1-5H3,(H3,49,50)(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62) |
| InChIKey | URCPMPQTYGGFBQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nostoc edaphicum CCNP1411 (ncbitaxon:1472755) | - | 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 CP978 (CHEBI:213869) is a cyclodepsipeptide (CHEBI:35213) |
| IUPAC Name |
|---|
| 4-[[15-(5-amino-5-iminopentyl)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-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-(butanoylamino)-4-oxobutanoic acid |