docosanoyl-CoA
Chemical Formula:
C43H74N7O17P3S
Molecular Weight:
1086.076 Daltons
Monoisotopic Mass:
1089.4387743359 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=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-]
InChI:
1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/t32-,36-,37-,38+,42-/m1/s1
InChIKey:
Synonyms
- behenoyl CoA
Databases
MetaCyc:
CPD-10279
RefMet:
Behenoyl-CoA
ChEBI:
65059
Reactome:
5695963
Seed:
cpd16343
HMDB:
HMDB12930
MetaNetX:
MNXM10780
KEGG:
C16528