2-carboxy-cerotoyl-CoA
Chemical Formula:
C48H81N7O19P3S
Molecular Weight:
1185.185 Daltons
Monoisotopic Mass:
1189.4912038369002 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(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
InChI:
1S/C48H86N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(46(60)61)47(62)78-30-29-50-37(56)27-28-51-44(59)41(58)48(2,3)32-71-77(68,69)74-76(66,67)70-31-36-40(73-75(63,64)65)39(57)45(72-36)55-34-54-38-42(49)52-33-53-43(38)55/h33-36,39-41,45,57-58H,4-32H2,1-3H3,(H,50,56)(H,51,59)(H,60,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-5/t35?,36-,39-,40-,41+,45-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-332
ChEBI:
83578
PubChem (CID):
46173201
Seed:
cpd26582
MetaNetX:
MNXM5459