3-oxo-cerotoyl-CoA

Chemical Formula:

C₄₇H₈₀N₇O₁₈P₃S

Molecular Weight:

1156.166 Daltons

Monoisotopic Mass:

1159.4806391506002 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/C47H84N7O18P3S/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/h33-34,36,40-42,46,58-59H,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/t36-,40-,41-,42+,46-/m1/s1

InChIKey:

VOMUIFOBQMYJPJ-CPIGOPAHSA-J

Synonyms

3-oxohexacosanoyl-CoA

Databases

MetaCyc: CPD-14274

RefMet: 3-oxohexacosanoyl-CoA

PubChem (CID): 71581082

ChEBI: 73980

MetaNetX: MNXM36758