Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004669
PROPERTIES
| NPAID | NPA004669 |
|---|---|
| CLUSTER ID | 1422 |
| NODE ID | 1182 |
| NAME | Teicoplanin product I |
| FORMULA | C88H93Cl2N9O33 |
| MOLECULAR WEIGHT (Da) | 1875.6480 |
| ACCURATE MASS (Da) | 1873.5253 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinoplanes |
| ORIGIN SPECIES | teichomyceticus |
| InChIKey | QUDLVMPJKSJEDL-AOSYACOCSA-N |
| InChI | InChI=1S/C88H93Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h4-5,7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3,6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b5-4+,8-7+ |
| SMILES | CC/C=C/C/C=C/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 |
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 |
