Turnerbactin
AlkaPlorer ID: AK091010
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-[(2S)-2-[[(2S)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-[(2S)-2-[[(2S)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoyl]oxypropanoyl]oxypropanoic acid
Structure
SMILES: NCCC[C@H](N=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)N=C(O)[C@H](CCCN)N=C(O)C1=CC=CC(O)=C1O)N=C(O)[C@H](CCCN)N=C(O)C1=CC=CC(O)=C1O)C(=O)O
InChI: InChI=1S/C45H59N9O19/c46-16-4-10-25(49-37(62)22-7-1-13-31(56)34(22)59)40(65)52-28(19-55)44(70)73-21-30(54-42(67)27(12-6-18-48)51-39(64)24-9-3-15-33(58)36(24)61)45(71)72-20-29(43(68)69)53-41(66)26(11-5-17-47)50-38(63)23-8-2-14-32(57)35(23)60/h1-3,7-9,13-15,25-30,55-61H,4-6,10-12,16-21,46-48H2,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,68,69)/t25-,26-,27-,28-,29-,30-/m0/s1
InChIKey: OJOBFUKLEWNEOR-WPMUBMLPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Teredinibacter turnerae | Teredinibacter | Cellvibrionaceae | Cellvibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1030.0109999999995
TPSA？: 505.1100000000001
MolLogP？: 0.6955000000000084
Number of H-Donors: 17
Number of H-Acceptors: 21
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|