Basic information
- CAS
12656-09-6- Standard SMILES
C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)/C(=C/C)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(=C)NC(=O)C(C(C)C)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O- InChIKey
AKFVOKPQHFBYCA-ASKSIGGCSA-N- Molecular formula
- C71H81N19O18S5
- Average molar mass
- 1,648.9 g/mol
- Monoisotopic mass
- 1,647.4610527
Overview
siomycin a has been reported in Planomonospora parontospora and Planomonospora sphaerica with data available.
Names & identifiers
- Preferred name
- Sporangiomycin
- IUPAC
- N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(11Z)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-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
Names & synonyms
MutabillicinMLS002702125SporangiomycinA-59-ANSC285116CHEMBL1967607Thiostrepton,3-didehydroalanine)-PD011209SMR00156569217H,28-(Iminoethaniminoethanimino ethaniminoethanimino[7,2]quinolinomethanoxy methano)-8,5:18,15:25,22:32,29-tetranitrilo-4H,15H-pyrido[3,2-m][1,11,17,24,4,7,20,27] tetrathiatetraazacyclotriacontine, cyclic peptide deriv
Database identifiers
- CAS
12656-09-6- PubChem CID
- 25200028
- ChEMBL
CHEMBL1967607
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 701 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 31
- Rotatable bonds
- 11
- Heavy atoms
- 113
- Formal charge
- 0
- Complexity
- 3,970
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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