Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000139
PROPERTIES
| NPAID | NPA000139 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Petrobactin sulfonate |
| FORMULA | C33H48N6O14S |
| MOLECULAR WEIGHT (Da) | 784.8420 |
| ACCURATE MASS (Da) | 784.2949 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Marinobacter |
| ORIGIN SPECIES | hydrocarbonoclasticus |
| InChIKey | KMZRMMARNMSLCX-UHFFFAOYSA-N |
| InChI | InChI=1S/C33H48N6O14S/c40-23-8-6-21(18-25(23)42)30(46)38-16-4-13-35-11-3-15-37-27(44)20-33(50,32(48)49)19-26(43)36-14-2-1-10-34-12-5-17-39-31(47)22-7-9-24(41)28(45)29(22)54(51,52)53/h6-9,18,34-35,40-42,45,50H,1-5,10-17,19-20H2,(H,36,43)(H,37,44)(H,38,46)(H,39,47)(H,48,49)(H,51,52,53) |
| SMILES | C1=CC(=C(C=C1C(=O)NCCCNCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)C2=C(C(=C(C=C2)O)O)S(=O)(=O)O)(C(=O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hickford, Sarah J H; Küpper, Frithjof C; Zhang, Guangping; Carrano, Carl J; Blunt, John W; Butler, Alison Petrobactin sulfonate, a new siderophore produced by the marine bacterium Marinobacter hydrocarbonoclasticus Journal of Natural Products 2004 67 (11) 1897-1899. | ||
|---|---|---|---|
| DOI | 10.1021/np049823i | PMID | 15568785 |
