A10255J
AlkaPlorer ID: AK045606
Synonym: None
IUPAC Name: 2-[[17-ethylidene-12,15,22,29,36,39-hexahydroxy-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-43,48-dioxa-9,46,47-trithia-3,13,16,19,23,26,30,33,37,40,45,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,12,15,18,20,22,25,27,29,32,34,36,39,42(45)-nonadecaene-4-carbonyl]amino]prop-2-enimidic acid
Structure
SMILES: C=C1N=C(O)C2=CN=C(S2)C(C)N=C(O)C2=CN=C(CN=C(O)C3=CN=C(O3)C(=CC)N=C(O)C(C(C)O)N=C(O)C3=CSC(=N3)C3=CC=C(C(=O)NC(=C)C(=N)O)N=C3C3=COC(=N3)C(=C)N=C1O)S2
InChI: InChI=1S/C43H38N14O11S3/c1-7-22-41-47-10-26(68-41)36(63)46-13-29-45-11-27(70-29)37(64)52-19(5)42-48-12-28(71-42)38(65)50-17(3)33(60)51-18(4)40-55-24(14-67-40)31-21(8-9-23(53-31)34(61)49-16(2)32(44)59)43-56-25(15-69-43)35(62)57-30(20(6)58)39(66)54-22/h7-12,14-15,19-20,30,58H,2-4,13H2,1,5-6H3,(H2,44,59)(H,46,63)(H,49,61)(H,50,65)(H,51,60)(H,52,64)(H,54,66)(H,57,62)
InChIKey: XCZCYMWDHUIDCL-UHFFFAOYSA-N
Reference
The structures of A10255 B, -G and -J: new thiopeptide antibiotics produced by Streptomyces gardneri
PubChem CID: 139585615
LOTUS: LTS0117782
COCONUT: CNP0272099
{NPAtlas: NPA009076
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces gardneri | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1023.0649999999996
TPSA？: 392.57
MolLogP？: 6.941070000000005
Number of H-Donors: 10
Number of H-Acceptors: 20
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|