Balhimycin
AlkaPlorer ID: AK057980
Synonym: None
IUPAC Name: 2-[(4S)-4-amino-4,6-dimethyl-5-oxooxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-48-[(4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
Structure
SMILES: CNC(CC(C)C)C(O)=NC1C(O)=NC(CC(=N)O)C(O)=NC2C(O)=NC3C(O)=NC(C(O)=NC(C(=O)O)C4=CC(O)=CC(O)=C4C4=CC3=CC=C4O)C(OC3C[C@](C)(N)C(=O)C(C)O3)C3=CC=C(OC4=CC2=CC(=C4OC2O[C@H](CO)C(O)[C@H](O)C2O)OC2=CC=C(C=C2Cl)C1O)C(Cl)=C3
InChI: InChI=1S/C66H73Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,65,71,78-81,83-86H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24?,34?,35?,42-,44?,46?,47?,48?,49?,50?,51?,52?,53+,54?,55?,65?,66+/m1/s1
InChIKey: WKNFBFHAYANQHF-HPBAPGONSA-N
Reference
New 4-Oxovancosamine-containing Glycopeptide Antibiotics from Amycolatopsis sp. Y-86,21022.
PubChem CID: 139586033
LOTUS: LTS0254190
{NPAtlas: NPA010597
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis sp. | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1447.2550000000003
TPSA？: 549.2600000000001
MolLogP？: 6.406170000000015
Number of H-Donors: 19
Number of H-Acceptors: 25
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|