Variochelin A
AlkaPlorer ID: AK328066
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)-4-(dodecanoylamino)-3-hydroxy-2-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoic acid
Structure
SMILES: CCCCCCCCCCCC(=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/C47H83N11O17/c1-5-6-7-8-9-10-11-12-13-22-36(62)51-31(18-14-23-50-47(48)49)38(63)28(2)40(65)55-37(39(64)46(72)73)43(68)54-34(27-59)44(69)56-24-17-21-35(56)42(67)52-32(19-15-25-57(74)29(3)60)41(66)53-33(45(70)71)20-16-26-58(75)30(4)61/h28,31-35,37-39,59,63-64,74-75H,5-27H2,1-4H3,(H,51,62)(H,52,67)(H,53,66)(H,54,68)(H,55,65)(H,70,71)(H,72,73)(H4,48,49,50)/t28-,31-,32-,33-,34+,35-,37-,38-,39-/m0/s1
InChIKey: GRFONBIZQKDBOK-GVMUGWJFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Variovorax boronicumulans | Variovorax | Comamonadaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1074.2409999999995
TPSA？: 446.58
MolLogP？: -2.068900000000009
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|