Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002375
PROPERTIES
| NPAID | NPA002375 |
|---|---|
| CLUSTER ID | 1422 |
| NODE ID | 1182 |
| NAME | Teicoplanin product II |
| FORMULA | C88H97Cl2N9O34 |
| MOLECULAR WEIGHT (Da) | 1895.6790 |
| ACCURATE MASS (Da) | 1893.5515 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinoplanes |
| ORIGIN SPECIES | teichomyceticus |
| InChIKey | VSZWXPWUVNLPKQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C88H97Cl2N9O34/c1-3-4-5-6-7-40(104)12-17-60(109)94-68-74(114)71(111)58(31-101)130-87(68)133-78-55-25-39-26-56(78)127-52-16-11-37(23-47(52)90)77(132-86-67(92-33(2)103)73(113)70(110)57(30-100)129-86)69-84(122)98-66(85(123)124)45-28-42(106)29-54(128-88-76(116)75(115)72(112)59(32-102)131-88)61(45)44-22-36(10-13-49(44)107)63(81(119)99-69)96-83(121)65(39)97-82(120)64-38-20-41(105)27-43(21-38)125-53-24-35(9-14-50(53)108)62(91)80(118)93-48(79(117)95-64)19-34-8-15-51(126-55)46(89)18-34/h8-11,13-16,18,20-29,40,48,57-59,62-77,86-88,100-102,104-108,110-116H,3-7,12,17,19,30-32,91H2,1-2H3,(H,92,103)(H,93,118)(H,94,109)(H,95,117)(H,96,121)(H,97,120)(H,98,122)(H,99,119)(H,123,124) |
| SMILES | CCCCCCC(CCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=CC(=CC(=C7C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C9C1=CC(=CC(=C1)O)OC1=C(C=CC(=C1)C(C(=O)NC(CC1=CC(=C(O3)C=C1)Cl)C(=O)N9)N)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C(=O)O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)Cl)CO)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | LAZZARINI, AMERICA; BORGHI, ANGELO; ZERILLI, LUIGI FRANCO; FERRARI, PIETRO; COLOMBO, LUIGI; LANCINI, GIAN CARLO Novel Teicoplanins by Directed Biosynthesis Journal of Antibiotics 1997 50 (2) 180-183. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.50.180 | PMID | 9099232 |
