A10255B
AlkaPlorer ID: AK326078
Synonym: None
IUPAC Name: 2-[[2-[[2-[[2-[[12,15,22,29,36,39-hexahydroxy-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-17-propylidene-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]-1-hydroxyprop-2-enylidene]amino]-1-hydroxyprop-2-enylidene]amino]-1-hydroxyprop-2-enylidene]amino]prop-2-enoic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(=C)NC(=O)C1=CC=C2C3=NC(=CS3)C(O)=NC(C(C)O)C(O)=NC(=CCC)C3=NC=C(O3)C(O)=NCC3=NC=C(S3)C(O)=NC(C)C3=NC=C(S3)C(O)=NC(=C)C(O)=NC(=C)C3=NC(=CO3)C2=N1)C(=O)O
InChI: InChI=1S/C53H48N16O15S3/c1-10-11-30-50-56-14-33(84-50)45(77)55-17-36-54-15-34(86-36)46(78)63-25(7)51-57-16-35(87-51)47(79)61-23(5)41(73)62-24(6)49-67-31(18-83-49)38-28(52-68-32(19-85-52)44(76)69-37(27(9)70)48(80)66-30)12-13-29(65-38)43(75)60-22(4)40(72)58-20(2)39(71)59-21(3)42(74)64-26(8)53(81)82/h11-16,18-19,25,27,37,70H,2-6,8,10,17H2,1,7,9H3,(H,55,77)(H,58,72)(H,59,71)(H,60,75)(H,61,79)(H,62,73)(H,63,78)(H,64,74)(H,66,80)(H,69,76)(H,81,82)
InChIKey: AXXZCCQYZVQWRP-UHFFFAOYSA-N
Reference
The structures of A10255 B, -G and -J: new thiopeptide antibiotics produced by Streptomyces gardneri
PubChem CID: 139586833
LOTUS: LTS0164883
COCONUT: CNP0190099.1
{NPAtlas: NPA013480
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces gardneri | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1245.265
TPSA？: 483.56
MolLogP？: 8.291100000000007
Number of H-Donors: 12
Number of H-Acceptors: 23
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|