Siomycin D1
AlkaPlorer ID: AK053053
Synonym: None
IUPAC Name: N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(1R,8S,11Z,15R,18R,25R,26S,35R,37R,46R,53S,59S)-18-[(2R,3S)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1S)-1-hydroxyethyl]-31-(hydroxymethyl)-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-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),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide
Structure
SMILES: C=C(NC(=O)C(=C)NC(=O)C1=CSC(C2=N[C@@H]3C4=CSC(=N4)[C@@H]4NC(=O)C5=CSC(=N5)[C@@H]([C@@](C)(O)[C@H](C)O)NC(=O)[C@@H]5CSC(=N5)/C(=C/C)NC(=O)[C@H]([C@H](C)O)NC(=O)C5=CSC(=N5)[C@]3(CC2)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)C(=C)NC(=O)[C@@H](C(C)C)N[C@@H]2C=CC3=C(CO)C=C(N=C3[C@H]2O)C(=O)O[C@H]4C)=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)/b36-13-/t30-,31+,32+,33+,37-,43+,45-,46+,47-,49+,50-,51+,69+,70-/m1/s1
InChIKey: GZXVYCZTRLJOKW-MTDZEBIFSA-N
Reference
The structure of siomycin-D1, peptede antibiotic isolated from Streptomyces sioyaensis.
PubChem CID: 139589106
LOTUS: LTS0125414
{NPAtlas: NPA021038
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？: 562.7399999999999
MolLogP？: -0.0519999999999886
Number of H-Donors: 17
Number of H-Acceptors: 31
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|