hexadecanedioyl-CoA

Chemical Formula:

C₃₇H₅₉N₇O₁₉P₃S

Molecular Weight:

1030.89 Daltons

Monoisotopic Mass:

1035.3190531307 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC(=O)[O-])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/C37H64N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h23-25,30-32,36,49-50H,3-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-5/t25-,30-,31-,32+,36-/m1/s1

InChIKey:

GTCSHNMTNCXODY-CCAJQFMUSA-I

Synonyms

hexadecanedioyl coenzyme A
hexadecanedioic acid-CoA
C16:0-DCA-CoA
16-carboxy-palmitoyl-CoA
16-carboxy-hexadecanoyl-CoA

Databases

MetaCyc: CPD-14772

PubChem (CID): 72715832

ChEBI: 77085

MetaNetX: MNXM114515