Aquachelins; Aquachelin I
AlkaPlorer ID: AK289071
Synonym: None
IUPAC Name: 5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[5-amino-2-[[2-[[2-[[3-carboxy-3-hydroxy-2-(3-hydroxydodecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Structure
SMILES: CCCCCCCCCC(O)CC(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/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)
InChIKey: GMPWCLNTXHKZJN-UHFFFAOYSA-N
Reference
Identification of new members within suites of amphiphilic marine siderophores
PubChem CID: 139588395
LOTUS: LTS0237954
COCONUT: CNP0353111.1
{NPAtlas: NPA018996
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Halomonas meridiana | Halomonas | Halomonadaceae | Oceanospirillales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| None | Julia | Juliidae | None | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1081.1409999999998
TPSA？: 529.0400000000001
MolLogP？: 1.0120700000000118
Number of H-Donors: 18
Number of H-Acceptors: 19
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|