Sulfomycin III
AlkaPlorer ID: AK036697
Synonym: None
IUPAC Name: 2-[[(14S,17Z,24R,31Z)-31-ethylidene-12,15,22,29,36,39-hexahydroxy-14-[(1R)-1-hydroxyethyl]-17-(2-hydroxyethylidene)-24-methoxy-20,34-dimethyl-38,41-dimethylidene-19,33,43-trioxa-9,26-dithia-3,13,16,23,30,37,40,45,46,47,48,49-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(48),20,22,25(47),27,29,32(46),34,36,39,42(45)-nonadecaene-4-carbonyl]amino]-N-[3-hydroxy-3-(3-hydroxy-3-iminoprop-1-en-2-yl)iminoprop-1-en-2-yl]prop-2-enimidic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C(=C)NC(=O)C1=CC=C2C3=NC(=CS3)C(O)=N[C@@H]([C@@H](C)O)C(O)=N/C(=C\CO)C3=NC(=C(C)O3)C(O)=N[C@H](OC)C3=NC(=CS3)C(O)=N/C(=C\C)C3=NC(=C(C)O3)C(O)=NC(=C)C(O)=NC(=C)C3=NC(=CO3)C2=N1)C(=N)O
InChI: InChI=1S/C53H50N16O16S2/c1-11-28-49-67-35(25(8)84-49)46(80)58-22(5)41(75)59-23(6)48-63-31(16-83-48)37-27(12-13-29(60-37)42(76)57-21(4)40(74)56-20(3)39(73)55-19(2)38(54)72)52-64-33(17-86-52)44(78)66-34(24(7)71)45(79)62-30(14-15-70)50-68-36(26(9)85-50)47(81)69-51(82-10)53-65-32(18-87-53)43(77)61-28/h11-14,16-18,24,34,51,70-71H,2-6,15H2,1,7-10H3,(H2,54,72)(H,55,73)(H,56,74)(H,57,76)(H,58,80)(H,59,75)(H,61,77)(H,62,79)(H,66,78)(H,69,81)/b28-11-,30-14-/t24-,34+,51-/m1/s1
InChIKey: KTTCPCJHFLBGGO-VCRNNKNOSA-N
Reference
The Structures of Sulfomycins II and III.
PubChem CID: 163188105
LOTUS: LTS0132588
{NPAtlas: NPA018147
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces viridochromogenes | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1231.213
TPSA？: 500.3500000000001
MolLogP？: 7.447010000000006
Number of H-Donors: 13
Number of H-Acceptors: 24
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|