(S)-[(3S,9S,12S,18R)-18-[(3S,4R)-4-amino-8-[(2,3-dihydroxyphenyl)formamido]-3-hydroxyoctanamido]-12-(3-carbamimidamidopropyl)-9-[(S)-carboxy(hydroxy)methyl]-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-3-yl](hydroxy)acetic acid
AlkaPlorer ID: AK511813
Synonym: None
IUPAC Name: (2S)-2-[(3R,9S,12R,18S)-18-[[(3S,4R)-4-amino-8-[(2,3-dihydroxybenzoyl)amino]-3-hydroxyoctanoyl]amino]-3-[(R)-carboxy(hydroxy)methyl]-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-9-yl]-2-hydroxyacetic acid
Structure
SMILES: N=C(N)NCCC[C@H]1N=C(O)CN=C(O)[C@@H](N=C(O)C[C@H](O)[C@H](N)CCCCN=C(O)C2=CC=CC(O)=C2O)COC(=O)[C@@H]([C@@H](O)C(=O)O)N=C(O)CN=C(O)[C@H]([C@H](O)C(=O)O)N=C1O
InChI: InChI=1S/C36H53N11O18/c37-16(6-1-2-9-40-29(56)15-5-3-8-19(48)26(15)53)20(49)11-21(50)45-18-14-65-35(64)25(28(55)34(62)63)46-23(52)13-43-32(59)24(27(54)33(60)61)47-31(58)17(7-4-10-41-36(38)39)44-22(51)12-42-30(18)57/h3,5,8,16-18,20,24-25,27-28,48-49,53-55H,1-2,4,6-7,9-14,37H2,(H,40,56)(H,42,57)(H,43,59)(H,44,51)(H,45,50)(H,46,52)(H,47,58)(H,60,61)(H,62,63)(H4,38,39,41)/t16-,17-,18+,20+,24+,25-,27+,28-/m1/s1
InChIKey: RJOBMSXUHGCZMZ-IBGFIEIMSA-N
Reference
A siderophore from a marine bacterium with an exceptional ferric ion affinity constant
PubChem CID: 132427651
LOTUS: LTS0139195
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas luteoviolacea | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 927.8790000000004
TPSA？: 518.1000000000001
MolLogP？: -2.424529999999988
Number of H-Donors: 18
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|