Sulfomycin I
AlkaPlorer ID: AK036685
Synonym: '', 'Sulfomycin I'
IUPAC Name: 2-[[(17E,31Z)-31-ethylidene-12,15,22,29,36,39-hexahydroxy-14-[(1R)-1-hydroxyethyl]-17-(2-hydroxypropylidene)-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)=NC([C@@H](C)O)C(O)=N/C(=C/C(C)O)C3=NC(=C(C)O3)C(O)=NC(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/C54H52N16O16S2/c1-12-29-50-68-36(26(9)85-50)47(81)59-23(6)42(76)60-24(7)49-64-32(16-84-49)38-28(13-14-30(61-38)43(77)58-22(5)41(75)57-21(4)40(74)56-20(3)39(55)73)53-65-34(17-87-53)45(79)67-35(25(8)72)46(80)63-31(15-19(2)71)51-69-37(27(10)86-51)48(82)70-52(83-11)54-66-33(18-88-54)44(78)62-29/h12-19,25,35,52,71-72H,3-7H2,1-2,8-11H3,(H2,55,73)(H,56,74)(H,57,75)(H,58,77)(H,59,81)(H,60,76)(H,62,78)(H,63,80)(H,67,79)(H,70,82)/b29-12-,31-15+/t19?,25-,35?,52?/m1/s1
InChIKey: HLGFNEKJPGHMHW-HLWOKXGBSA-N
Reference
SULFOMYCINS, A SERIES OF NEW SULFUR-CONTAINING ANTIBIOTICS. I
PubChem CID: 16132044
CAS: 62339-99-5
LOTUS: LTS0016545
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces viridochromogenes | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1245.24
TPSA？: 500.3500000000001
MolLogP？: 7.835510000000006
Number of H-Donors: 13
Number of H-Acceptors: 24
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|