Azotobactin 87-I
AlkaPlorer ID: AK290041
Synonym: Azobactin DSM 87
IUPAC Name: 4-[[1-[[1-[[1-[[1-[(1-carboxy-3-hydroxypropyl)amino]-5-[hydroxy(3-hydroxybutanoyl)amino]-1-oxopentan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]amino]-3-[[2-[[2-[[2-[[2-[(4,5-dihydroxy-11-oxo-10,12-diaza-1-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16)-pentaene-15-carbonyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxybutanoyl]amino]acetyl]amino]-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: CC(O)CC(=O)N(O)CCCC(NC(=O)C(CCO)NC(=O)C(CCO)NC(=O)C(CCO)NC(=O)C(NC(=O)CNC(=O)C(CCO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCN2C(=O)NC3=CC4=CC(O)=C(O)C=C4N1[C+]32)C(O)C(=O)O)C(=O)NC(CCO)C(=O)O
InChI: InChI=1S/C55H80N14O28/c1-24(77)17-40(81)68(97)10-2-3-26(44(84)62-31(9-16-74)53(92)93)57-45(85)28(6-13-71)59-46(86)29(7-14-72)60-47(87)30(8-15-73)61-51(91)41(42(82)54(94)95)66-39(80)21-56-43(83)27(5-12-70)58-48(88)33(22-75)63-49(89)34(23-76)64-50(90)35-4-11-67-52-32(65-55(67)96)18-25-19-37(78)38(79)20-36(25)69(35)52/h18-20,24,26-31,33-35,41-42,70-77,82,97H,2-17,21-23H2,1H3,(H14-,56,57,58,59,60,61,62,63,64,65,66,78,79,80,83,84,85,86,87,88,89,90,91,92,93,94,95,96)/p+1
InChIKey: GZFQLDNSNVGBQC-UHFFFAOYSA-O
Reference
CAS: 155962-50-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azotobacter vinelandii | Azotobacter | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1386.3230000000003
TPSA？: 671.3900000000001
MolLogP？: -11.4036
Number of H-Donors: 25
Number of H-Acceptors: 28
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|