Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009265
PROPERTIES
| NPAID | NPA009265 |
|---|---|
| CLUSTER ID | 1810 |
| NODE ID | 143 |
| NAME | Occidiofungin A |
| FORMULA | C54H78N12O19 |
| MOLECULAR WEIGHT (Da) | 1199.2830 |
| ACCURATE MASS (Da) | 1198.5506 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | contaminans |
| InChIKey | AOHSXULORROIFX-DOTMVGKOSA-N |
| InChI | InChI=1S/C54H78N12O19/c1-2-3-16-83-31-18-30(85-54-47(76)46(75)39(69)26-84-54)19-42(72)61-35(17-28-22-58-33-9-5-4-8-32(28)33)51(80)66-44(45(74)27-11-13-29(68)14-12-27)53(82)63-34(10-6-7-15-55)48(77)60-24-43(73)62-37(21-41(57)71)50(79)65-38(25-67)52(81)64-36(20-40(56)70)49(78)59-23-31/h4-5,8-9,11-14,22,30-31,34-39,44-47,54,58,67-69,74-76H,2-3,6-7,10,15-21,23-26,55H2,1H3,(H2,56,70)(H2,57,71)(H,59,78)(H,60,77)(H,61,72)(H,62,73)(H,63,82)(H,64,81)(H,65,79)(H,66,80)/t30?,31?,34-,35-,36-,37-,38-,39+,44-,45?,46-,47+,54?/m0/s1 |
| SMILES | CCCCOC1CC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC1)CC(=O)N)CO)CC(=O)N)CCCCN)C(C2=CC=C(C=C2)O)O)CC3=CNC4=CC=CC=C43)OC5[C@@H]([C@H]([C@@H](CO5)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lu, Shi-En; Novak, Jan; Austin, Frank W.; Gu, Ganyu; Ellis, Dayna; Kirk, Marion; Wilson-Stanford, Shawanda; Tonelli, Marco; Smith, Leif Occidiofungin, a Unique Antifungal Glycopeptide Produced by a Strain of Burkholderia contaminans Biochemistry 2009 48 (35) 8312-8321. | ||
|---|---|---|---|
| DOI | 10.1021/bi900814c | PMID | 19673482 |
