(3R)-3-hydroxy-cerotoyl-CoA
Chemical Formula:
C47H82N7O18P3S
Molecular Weight:
1158.182 Daltons
Monoisotopic Mass:
1161.4962892148 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
InChI:
1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35-,36-,40-,41-,42+,46-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14278
PubChem (CID):
72193759
ChEBI:
76378
Seed:
cpd24269
MetaNetX:
MNXM162513