(Z)-15-tetracosenoyl-CoA
Chemical Formula:
C45H76N7O17P3S
Molecular Weight:
1112.113 Daltons
Monoisotopic Mass:
1115.4544244001002 Daltons
SMILES:
CCCCCCCCC=CCCCCCCCCCCCCCC(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/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b12-11-/t34-,38-,39-,40+,44-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14269
RefMet:
15Z-tetracosenoyl-CoA
PubChem (CID):
71581057
HMDB:
HMDB60237
ChEBI:
74128
KEGG:
C16532
Seed:
cpd16346
MetaNetX:
MNXM13000