Streptobactin
AlkaPlorer ID: AK037319
Synonym: None
IUPAC Name: N-[(2S)-1-[[(2R,3S,6R,7S,10R,11S)-7,11-bis[[(2S)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,3-dihydroxybenzamide
Structure
SMILES: C[C@H]1OC(=O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)C2=CC=CC(O)=C2O)[C@@H](C)OC(=O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)C2=CC=CC(O)=C2O)[C@@H](C)OC(=O)[C@H]1N=C(O)[C@H](CCCNC(=N)N)N=C(O)C1=CC=CC(O)=C1O
InChI: InChI=1S/C51H69N15O18/c1-22-34(64-43(76)28(13-7-19-58-49(52)53)61-40(73)25-10-4-16-31(67)37(25)70)46(79)83-24(3)36(66-45(78)30(15-9-21-60-51(56)57)63-42(75)27-12-6-18-33(69)39(27)72)48(81)84-23(2)35(47(80)82-22)65-44(77)29(14-8-20-59-50(54)55)62-41(74)26-11-5-17-32(68)38(26)71/h4-6,10-12,16-18,22-24,28-30,34-36,67-72H,7-9,13-15,19-21H2,1-3H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H,66,78)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t22-,23-,24-,28+,29+,30+,34+,35+,36+/m1/s1
InChIKey: WLSGYSOOUFLHHA-XKCQZYHGSA-N
Reference
Streptobactin, a Tricatechol-Type Siderophore from Marine-Derived <i>Streptomyces</i> sp. YM5-799
PubChem CID: 70698137
LOTUS: LTS0174696
{NPAtlas: NPA003060
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. YM5-799 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1180.1999999999998
TPSA？: 581.5200000000001
MolLogP？: 0.9140100000000098
Number of H-Donors: 21
Number of H-Acceptors: 21
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|