(2S,3R)-2-{2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-2-[(3R,4R)-4-amino-8-[(2,3-dihydroxyphenyl)formamido]-3-hydroxyoctanamido]-3-hydroxypropanamido]acetamido}-5-carbamimidamidopentanamido]-3-carboxy-3-hydroxypropanamido]acetamido}-3-hydroxybutanedioic acid
AlkaPlorer ID: AK433348
Synonym: None
IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(3S,4R)-4-amino-8-[(2,3-dihydroxybenzoyl)amino]-3-hydroxyoctanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxy-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxybutanedioic acid
Structure
SMILES: N=C(N)NCCC[C@H](N=C(O)CN=C(O)[C@@H](CO)N=C(O)C[C@H](O)[C@H](N)CCCCN=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@H](C(O)=NCC(O)=N[C@H](C(=O)O)C(O)C(=O)O)C(O)C(=O)O
InChI: InChI=1S/C36H55N11O19/c37-16(6-1-2-9-40-29(57)15-5-3-8-19(49)26(15)54)20(50)11-21(51)45-18(14-48)30(58)42-12-22(52)44-17(7-4-10-41-36(38)39)31(59)47-24(27(55)34(63)64)32(60)43-13-23(53)46-25(33(61)62)28(56)35(65)66/h3,5,8,16-18,20,24-25,27-28,48-50,54-56H,1-2,4,6-7,9-14,37H2,(H,40,57)(H,42,58)(H,43,60)(H,44,52)(H,45,51)(H,46,53)(H,47,59)(H,61,62)(H,63,64)(H,65,66)(H4,38,39,41)/t16-,17+,18-,20+,24+,25+,27?,28?/m1/s1
InChIKey: KJCVTBCAMXKHDA-GRFBREHKSA-N
Reference
A siderophore from a marine bacterium with an exceptional ferric ion affinity constant
PubChem CID: 132427652
LOTUS: LTS0225287
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas luteoviolacea | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 945.8940000000006
TPSA？: 549.3300000000003
MolLogP？: -2.904429999999993
Number of H-Donors: 20
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|