Aquachelins; Aquachelin D
AlkaPlorer ID: AK289075
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-(tetradecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Structure
SMILES: CCCCCCCCCCCCCC(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/C46H80N10O20/c1-4-5-6-7-8-9-10-11-12-13-14-19-36(63)54-37(38(64)46(73)74)44(70)53-34(26-59)43(69)52-32(24-57)41(67)49-30(20-21-35(47)62)40(66)48-29(17-15-22-55(75)27(2)60)39(65)51-33(25-58)42(68)50-31(45(71)72)18-16-23-56(76)28(3)61/h29-34,37-38,57-59,64,75-76H,4-26H2,1-3H3,(H2,47,62)(H,48,66)(H,49,67)(H,50,68)(H,51,65)(H,52,69)(H,53,70)(H,54,63)(H,71,72)(H,73,74)
InChIKey: INQPEYPPNRJHHH-UHFFFAOYSA-N
Reference
Self-Assembling Amphiphilic Siderophores from Marine Bacteria
PubChem CID: 21775724
LOTUS: LTS0059004
COCONUT: CNP0352341.1
{NPAtlas: NPA001669
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marinobacter sp. | Marinobacter | Marinobacteraceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1093.196
TPSA？: 508.8100000000001
MolLogP？: 2.821470000000011
Number of H-Donors: 17
Number of H-Acceptors: 18
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|