Marinobactin-D1
AlkaPlorer ID: AK031665
Synonym: None
IUPAC Name: (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2R)-5-[acetyl(hydroxy)amino]-2-[[(2R)-2-[[(2S,7R,8R)-8-[[(Z)-hexadec-9-enoyl]amino]-7-hydroxy-6,9-dioxo-1,5-diazonane-2-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Structure
SMILES: CCCCCC/C=C\CCCCCCCC(O)=N[C@H]1C(O)=N[C@H](C(O)=N[C@H](CO)C(O)=N[C@H](CCCN(O)C(C)=O)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCCN(O)C(C)=O)C(=O)O)CCN=C(O)[C@@H]1O
InChI: InChI=1S/C44H75N9O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-35(58)51-36-37(59)43(65)45-23-22-31(47-42(36)64)39(61)50-33(26-54)40(62)46-30(19-17-24-52(68)28(2)56)38(60)49-34(27-55)41(63)48-32(44(66)67)20-18-25-53(69)29(3)57/h9-10,30-34,36-37,54-55,59,68-69H,4-8,11-27H2,1-3H3,(H,45,65)(H,46,62)(H,47,64)(H,48,63)(H,49,60)(H,50,61)(H,51,58)(H,66,67)/b10-9-/t30-,31+,32+,33-,34+,36-,37-/m1/s1
InChIKey: OCPXGGLXMCBXGP-OKIGRURVSA-N
Reference
Self-Assembling Amphiphilic Siderophores from Marine Bacteria
PubChem CID: 139585808
LOTUS: LTS0157355
{NPAtlas: NPA009788
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Marinobacter sp. | Marinobacter | Marinobacteraceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 986.131
TPSA？: 407.2000000000001
MolLogP？: 4.02040000000001
Number of H-Donors: 13
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|