Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018703
PROPERTIES
| NPAID | NPA018703 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Trivanchrobactin |
| FORMULA | C48H65N15O19 |
| MOLECULAR WEIGHT (Da) | 1156.1340 |
| ACCURATE MASS (Da) | 1155.4581 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Vibrio |
| ORIGIN SPECIES | sp. DS40M4 |
| InChIKey | XCOHICMVRLNUCU-OKXKEXSSSA-N |
| InChI | InChI=1S/C48H65N15O19/c49-46(50)55-16-4-10-25(58-37(71)22-7-1-13-31(65)34(22)68)40(74)61-28(19-64)44(79)82-21-30(63-42(76)27(12-6-18-57-48(53)54)60-39(73)24-9-3-15-33(67)36(24)70)45(80)81-20-29(43(77)78)62-41(75)26(11-5-17-56-47(51)52)59-38(72)23-8-2-14-32(66)35(23)69/h1-3,7-9,13-15,25-30,64-70H,4-6,10-12,16-21H2,(H,58,71)(H,59,72)(H,60,73)(H,61,74)(H,62,75)(H,63,76)(H,77,78)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57)/t25-,26-,27-,28+,29+,30+/m1/s1 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C3=C(C(=CC=C3)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sandy, Moriah; Han, Andrew; Blunt, John; Munro, Murray; Haygood, Margo; Butler, Alison Vanchrobactin and anguibactin siderophores produced by Vibrio sp. DS40M4 Journal of Natural Products 2010 73 (6) 1038-1043. | ||
|---|---|---|---|
| DOI | 10.1021/np900750g | PMID | 20521785 |
