Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018996
PROPERTIES
| NPAID | NPA018996 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Aquachelin I |
| FORMULA | C44H76N10O21 |
| MOLECULAR WEIGHT (Da) | 1081.1410 |
| ACCURATE MASS (Da) | 1080.5186 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Halomonas |
| ORIGIN SPECIES | meridiana str. HC4321C1 |
| InChIKey | GMPWCLNTXHKZJN-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H76N10O21/c1-4-5-6-7-8-9-10-13-26(60)20-34(62)52-35(36(63)44(72)73)42(69)51-32(23-57)41(68)50-30(21-55)39(66)47-28(16-17-33(45)61)38(65)46-27(14-11-18-53(74)24(2)58)37(64)49-31(22-56)40(67)48-29(43(70)71)15-12-19-54(75)25(3)59/h26-32,35-36,55-57,60,63,74-75H,4-23H2,1-3H3,(H2,45,61)(H,46,65)(H,47,66)(H,48,67)(H,49,64)(H,50,68)(H,51,69)(H,52,62)(H,70,71)(H,72,73) |
| SMILES | CCCCCCCCCC(CC(=O)NC(C(C(=O)O)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN(C(=O)C)O)C(=O)NC(CO)C(=O)NC(CCCN(C(=O)C)O)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vraspir, Julia M; Holt, Pamela D; Butler, Alison Identification of new members within suites of amphiphilic marine siderophores BioMetals 2011 24 (1) 85. | ||
|---|---|---|---|
| DOI | 10.1007/s10534-010-9378-1 | PMID | 20853137 |
