megalomicin A
Chemical Formula:
C44H82N2O15
Molecular Weight:
879.136 Daltons
Monoisotopic Mass:
878.5715199741 Daltons
SMILES:
CCC1(C(C)(C(C(C)C(C(C)CC(C)(C(C(C)C(C(C)C(=O)O1)OC2(CC(C)(C(C(C)O2)O)O))OC3(C(C(CC(C)O3)[N+](C)C)O))OC4(CC(C(C(C)O4)O)[N+](C)C))=O)O)O)
InChI:
1S/C44H80N2O15/c1-16-30-44(11,54)37(50)23(4)33(47)21(2)19-43(10,61-31-18-29(46(14)15)34(48)26(7)56-31)39(60-41-35(49)28(45(12)13)17-22(3)55-41)24(5)36(25(6)40(52)58-30)59-32-20-42(9,53)38(51)27(8)57-32/h21-32,34-39,41,48-51,53-54H,16-20H2,1-15H3/p+2/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1
InChIKey:
Synonyms
- megalomycin A
Databases
MetaCyc:
CPD-12966
PubChem (CID):
90658835
Seed:
cpd08782
ChEBI:
29624
MetaNetX:
MNXM61302
KEGG:
C11985