3-oxododecanoyl-CoA

Chemical Formula:

C₃₃H₅₂N₇O₁₈P₃S

Molecular Weight:

959.791 Daltons

Monoisotopic Mass:

963.2615382518001 Daltons

SMILES:

CCCCCCCCCC(=O)CC(=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/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t22-,26-,27-,28+,32-/m1/s1

InChIKey:

HQANBZHVWIDNQZ-GMHMEAMDSA-J

Synonyms

3-ketododecanoyl-CoA
3-oxolauroyl-CoA

Databases

MetaCyc: CPD0-2105

ChEBI: 62615

PubChem (CID): 46173506

RefMet: 3-oxolauroyl-CoA

BiGG: 3oddcoa

HMDB: HMDB03937

KEGG: C05263

Reactome: 77253

Seed: cpd03117

MetaNetX: MNXM705