Aquachelins; Aquachelin J
AlkaPlorer ID: AK289076
Synonym: None
IUPAC Name: 5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[5-amino-2-[[2-[[2-[[3-carboxy-2-(decanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Structure
SMILES: CCCCCCCCCC(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/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)
InChIKey: BCCHXUONKCNFBI-UHFFFAOYSA-N
Reference
Identification of new members within suites of amphiphilic marine siderophores
PubChem CID: 139587424
LOTUS: LTS0123931
COCONUT: CNP0353107.1
{NPAtlas: NPA015539
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: 1037.0879999999995
TPSA？: 508.8100000000001
MolLogP？: 1.261070000000012
Number of H-Donors: 17
Number of H-Acceptors: 18
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|