Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020935
PROPERTIES
| NPAID | NPA020935 |
|---|---|
| CLUSTER ID | 6570 |
| NODE ID | 141 |
| NAME | Ancovenin |
| FORMULA | C85H121N23O25S3 |
| MOLECULAR WEIGHT (Da) | 1961.2400 |
| ACCURATE MASS (Da) | 1959.8066 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. No. A647P-2 |
| InChIKey | DEEOVDONDDERBX-XDJJBTLASA-N |
| InChI | InChI=1S/C85H121N23O25S3/c1-39(2)26-51-75(122)106-68-43(7)136-38-59(78(125)93-41(5)69(116)97-52(27-44-16-9-8-10-17-44)71(118)92-33-64(113)108-25-15-21-60(108)81(128)99-51)104-80(127)58-37-134-36-57(103-77(124)56(34-109)101-74(121)53(100-84(68)131)28-45-31-90-48-19-12-11-18-46(45)48)79(126)98-55(30-65(114)115)72(119)91-32-63(112)94-54(29-62(89)111)76(123)107-67(83(130)96-50(85(132)133)20-13-14-24-86)42(6)135-35-47(87)70(117)105-66(40(3)4)82(129)95-49(73(120)102-58)22-23-61(88)110/h8-12,16-19,31,39-40,42-43,47,49-60,66-68,90,109H,5,13-15,20-30,32-38,86-87H2,1-4,6-7H3,(H2,88,110)(H2,89,111)(H,91,119)(H,92,118)(H,93,125)(H,94,112)(H,95,129)(H,96,130)(H,97,116)(H,98,126)(H,99,128)(H,100,131)(H,101,121)(H,102,120)(H,103,124)(H,104,127)(H,105,117)(H,106,122)(H,107,123)(H,114,115)(H,132,133)/t42-,43-,47+,49-,50+,51+,52+,53-,54+,55-,56+,57+,58+,59-,60-,66-,67-,68-/m0/s1 |
| SMILES | C[C@H]1[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]3CSC[C@H](C(=O)N[C@@H](CS1)C(=O)NC(=C)C(=O)N[C@@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](C(=O)N2)CC(C)C)CC5=CC=CC=C5)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CS[C@H]([C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC3=O)CC(=O)O)CC(=O)N)C(=O)N[C@H](CCCCN)C(=O)O)C)N)C(C)C)CCC(=O)N)CO)CC6=CNC7=CC=CC=C76 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kido Y; Hamakado T; Yoshida T; Anno M; Motoki Y; Wakamiya T; Shiba T ISOLATION AND CHARACTERIZATION OF ANCOVENIN, A NEW INHIBITOR OF ANGIOTENSIN I CONVERTING ENZYME, PRODUCED BY ACTINOMYCETES Journal of Antibiotics 1983 36 (10) 1295-1299. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.36.1295 | PMID | 6315666 |
