Aquachelins; Aquachelin B
AlkaPlorer ID: AK289073
Synonym: None
IUPAC Name: 5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[5-amino-2-[[2-[[2-[[3-carboxy-2-(dodecanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Structure
SMILES: CCCCCCCCCCCC(O)=NC(C(O)=NC(CO)C(O)=NC(CO)C(O)=NC(CCC(=N)O)C(O)=NC(CCCN(O)C(C)=O)C(O)=NC(CO)C(O)=NC(CCCN(O)C(C)=O)C(=O)O)C(O)C(=O)O
InChI: InChI=1S/C44H76N10O20/c1-4-5-6-7-8-9-10-11-12-17-34(61)52-35(36(62)44(71)72)42(68)51-32(24-57)41(67)50-30(22-55)39(65)47-28(18-19-33(45)60)38(64)46-27(15-13-20-53(73)25(2)58)37(63)49-31(23-56)40(66)48-29(43(69)70)16-14-21-54(74)26(3)59/h27-32,35-36,55-57,62,73-74H,4-24H2,1-3H3,(H2,45,60)(H,46,64)(H,47,65)(H,48,66)(H,49,63)(H,50,67)(H,51,68)(H,52,61)(H,69,70)(H,71,72)
InChIKey: WOJFGQUZCNCVME-UHFFFAOYSA-N
Reference
Self-Assembling Amphiphilic Siderophores from Marine Bacteria
PubChem CID: 139584536
LOTUS: LTS0201442
COCONUT: CNP0352345.1
{NPAtlas: NPA005168
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marinobacter sp. | Marinobacter | Marinobacteraceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1065.142
TPSA？: 508.8100000000001
MolLogP？: 2.0412700000000106
Number of H-Donors: 17
Number of H-Acceptors: 18
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|