Variochelin B
AlkaPlorer ID: AK328067
Synonym: None
IUPAC Name: (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-1-[(2R)-2-[[(2S,3S)-3-carboxy-2-[[(2S,3S,4S)-7-(diaminomethylideneamino)-3-hydroxy-2-methyl-4-(tetradecanoylamino)heptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoic acid
Structure
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)[C@H](O)C(=O)O
InChI: InChI=1S/C49H87N11O17/c1-5-6-7-8-9-10-11-12-13-14-15-24-38(64)53-33(20-16-25-52-49(50)51)40(65)30(2)42(67)57-39(41(66)48(74)75)45(70)56-36(29-61)46(71)58-26-19-23-37(58)44(69)54-34(21-17-27-59(76)31(3)62)43(68)55-35(47(72)73)22-18-28-60(77)32(4)63/h30,33-37,39-41,61,65-66,76-77H,5-29H2,1-4H3,(H,53,64)(H,54,69)(H,55,68)(H,56,70)(H,57,67)(H,72,73)(H,74,75)(H4,50,51,52)/t30-,33-,34-,35-,36+,37-,39-,40-,41-/m0/s1
InChIKey: KAFRRCNQGFIZFI-WKKVWVOWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Variovorax boronicumulans | Variovorax | Comamonadaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1102.2949999999996
TPSA？: 446.58
MolLogP？: -1.2887000000000115
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|