Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015539
PROPERTIES
| NPAID | NPA015539 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Aquachelin J |
| FORMULA | C42H72N10O20 |
| MOLECULAR WEIGHT (Da) | 1037.0880 |
| ACCURATE MASS (Da) | 1036.4924 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Halomonas |
| ORIGIN SPECIES | meridiana str. HC4321C1 |
| InChIKey | BCCHXUONKCNFBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C42H72N10O20/c1-4-5-6-7-8-9-10-15-32(59)50-33(34(60)42(69)70)40(66)49-30(22-55)39(65)48-28(20-53)37(63)45-26(16-17-31(43)58)36(62)44-25(13-11-18-51(71)23(2)56)35(61)47-29(21-54)38(64)46-27(41(67)68)14-12-19-52(72)24(3)57/h25-30,33-34,53-55,60,71-72H,4-22H2,1-3H3,(H2,43,58)(H,44,62)(H,45,63)(H,46,64)(H,47,61)(H,48,65)(H,49,66)(H,50,59)(H,67,68)(H,69,70) |
| SMILES | CCCCCCCCCC(=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 |
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 |
