marinoloyl-CoA C
Chemical Formula:
C52H84N7O23P3S
Molecular Weight:
1300.25 Daltons
Monoisotopic Mass:
1303.4865123895001 Daltons
SMILES:
CC(=CC(OCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C[CH]4(C(O)C(O)[CH](CC=CC(C(C)O)C)CO4)
InChI:
1S/C52H88N7O23P3S/c1-33(26-37-44(65)43(64)36(28-77-37)19-17-18-34(2)35(3)60)27-40(62)76-24-16-14-12-10-8-6-7-9-11-13-15-20-41(63)86-25-23-54-39(61)21-22-55-50(68)47(67)52(4,5)30-79-85(74,75)82-84(72,73)78-29-38-46(81-83(69,70)71)45(66)51(80-38)59-32-58-42-48(53)56-31-57-49(42)59/h17-18,27,31-32,34-38,43-47,51,60,64-67H,6-16,19-26,28-30H2,1-5H3,(H,54,61)(H,55,68)(H,72,73)(H,74,75)(H2,53,56,57)(H2,69,70,71)/p-4/b18-17+,33-27+/t34-,35+,36+,37+,38-,43-,44+,45-,46-,47+,51-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18979
MetaNetX:
MNXM164903
ChEBI:
142976