Siomycin A
AlkaPlorer ID: AK313614
Synonym: 1-Valine-2-(2,3-didehydroalanine)thiostrepton, Mutabillicin, Mutabilycin, Sporangiomycin, Antibiotic 6741-21
IUPAC Name: 2-[18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-6,9,16,23,38,41,44,47,59-nonahydroxy-8,31-bis(1-hydroxyethyl)-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(C(C)O)C=C(N=C3C2O)C(=O)OC4C)=N1)C(=N)O
InChI: InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)
InChIKey: AKFVOKPQHFBYCA-UHFFFAOYSA-N
Reference
PubChem CID: 163196086
CAS: 12656-09-6
LOTUS: LTS0106882
COCONUT: CNP0237719.4
{NPAtlas: NPA012763
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces sioyaensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1648.879
TPSA？: 598.6300000000002
MolLogP？: 9.165470000000004
Number of H-Donors: 18
Number of H-Acceptors: 31
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|