polymyxin A
Chemical Formula:
C51H101N16O14
Molecular Weight:
1162.458 Daltons
Monoisotopic Mass:
1161.7683170347 Daltons
SMILES:
CCC(C)CCCCC(=O)NC(CC[N+])C(=O)NC(C(=O)NC(CC[N+])C(NC1(CCNC(=O)C(C(C)O)NC(=O)C(CC[N+])NC(=O)C(CC[N+])NC(=O)C(C(O)C)NC(=O)C(CC(C)C)NC(=O)C(CC[N+])NC(=O)1))=O)C(C)O
InChI:
1S/C51H96N16O14/c1-8-27(4)11-9-10-12-38(71)58-31(13-19-52)46(76)66-40(29(6)69)50(80)63-34(16-22-55)43(73)61-36-18-24-57-49(79)39(28(5)68)65-47(77)35(17-23-56)60-42(72)33(15-21-54)62-51(81)41(30(7)70)67-48(78)37(25-26(2)3)64-44(74)32(14-20-53)59-45(36)75/h26-37,39-41,68-70H,8-25,52-56H2,1-7H3,(H,57,79)(H,58,71)(H,59,75)(H,60,72)(H,61,73)(H,62,81)(H,63,80)(H,64,74)(H,65,77)(H,66,76)(H,67,78)/p+5/t27?,28?,29?,30?,31-,32-,33-,34+,35-,36-,37+,39-,40-,41-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-16444
PubChem (CID):
90658307
MetaNetX:
MNXM149163