ferribactin
Chemical Formula:
C56H91N18O21
Molecular Weight:
1352.443 Daltons
Monoisotopic Mass:
1352.6684421108998 Daltons
SMILES:
CC(O)C1(NC(C(NC(=O)C(CCCN(C=O)O)NC(=O)C(CCCCNC(=O)1)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(NC(C(CO)NC(C3(CCN=C(C(NC(CCC(C(=O)[O-])[N+])=O)CC2(=CC=C(O)C=C2))N3))=O)=O)CCCNC(=[N+])N)C(C)O)=O)
InChI:
1S/C56H90N18O21/c1-29(79)43-53(90)61-19-4-3-8-34(46(83)66-37(11-7-23-74(95)28-78)50(87)71-44(30(2)80)54(91)72-43)65-47(84)36(10-6-22-73(94)27-77)68-52(89)40(25-75)69-48(85)35(9-5-20-62-56(58)59)67-51(88)41(26-76)70-49(86)38-18-21-60-45(64-38)39(24-31-12-14-32(81)15-13-31)63-42(82)17-16-33(57)55(92)93/h12-15,27-30,33-41,43-44,75-76,79-81,94-95H,3-11,16-26,57H2,1-2H3,(H,60,64)(H,61,90)(H,63,82)(H,65,84)(H,66,83)(H,67,88)(H,68,89)(H,69,85)(H,70,86)(H,71,87)(H,72,91)(H,92,93)(H4,58,59,62)/p+1/t29?,30?,33?,34?,35?,36?,37?,38-,39?,40?,41?,43?,44?/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-12098
Seed:
cpd23235
MetaNetX:
MNXM11549