Siomycin D1
AlkaPlorer ID: AK313625
Synonym: None
IUPAC Name: 2-[18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-6,9,16,23,38,41,44,47,59-nonahydroxy-8-(1-hydroxyethyl)-31-(hydroxymethyl)-26,46-dimethyl-40,43-dimethylidene-28-oxo-37-propan-2-yl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,6,9,12(63),16,19(62),21,23,29(61),30,32(60),33,38,41,44,47,51,54,57-icosaen-51-yl]-N-[3-hydroxy-3-(3-hydroxy-3-iminoprop-1-en-2-yl)iminoprop-1-en-2-yl]-1,3-thiazole-4-carboximidic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C1=CSC(C2=NC3C4=CSC(=N4)C4N=C(O)C5=CSC(=N5)C(C(C)(O)C(C)O)N=C(O)C5CSC(=N5)C(=CC)N=C(O)C(C(C)O)N=C(O)C5=CSC(=N5)C3(CC2)N=C(O)C(C)N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(C(C)C)NC2C=CC3=C(CO)C=C(N=C3C2O)C(=O)OC4C)=N1)C(=N)O
InChI: InChI=1S/C70H79N19O18S5/c1-13-36-63-82-43(22-108-63)60(102)88-51(69(12,106)33(11)92)66-84-42(23-111-66)58(100)87-47-32(10)107-67(105)39-18-34(19-90)35-14-15-37(49(93)48(35)78-39)77-45(25(2)3)61(103)76-29(7)55(97)73-27(5)54(96)74-30(8)56(98)89-70(68-85-44(24-112-68)59(101)86-46(31(9)91)62(104)80-36)17-16-38(79-50(70)40-20-110-65(47)81-40)64-83-41(21-109-64)57(99)75-28(6)53(95)72-26(4)52(71)94/h13-15,18,20-21,23-25,30-33,37,43,45-47,49-51,77,90-93,106H,4-7,16-17,19,22H2,1-3,8-12H3,(H2,71,94)(H,72,95)(H,73,97)(H,74,96)(H,75,99)(H,76,103)(H,80,104)(H,86,101)(H,87,100)(H,88,102)(H,89,98)
InChIKey: GZXVYCZTRLJOKW-UHFFFAOYSA-N
Reference
The structure of siomycin-D1, peptede antibiotic isolated from Streptomyces sioyaensis.
PubChem CID: 163196149
CAS: 61419-61-2
LOTUS: LTS0075345
COCONUT: CNP0349324.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sioyaensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1634.852
TPSA？: 598.6300000000002
MolLogP？: 8.60447000000001
Number of H-Donors: 18
Number of H-Acceptors: 31
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|