pristanoyl-CoA

Chemical Formula:

C₄₀H₆₈N₇O₁₇P₃S

Molecular Weight:

1043.995 Daltons

Monoisotopic Mass:

1047.3918241433 Daltons

SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(C)C(=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/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t26?,27?,28?,29-,32-,33-,34+,38-/m1/s1

InChIKey:

XYJPSQPVCBNZHT-TUKYSRJDSA-J

Synonyms

2,6,10,14-tetramethylpentadecanoyl-CoA
2,6,10,14-tetramethylpentadecanoyl-coenzyme A
pristanoyl-coenzyme A

Databases

MetaCyc: CPD-14675

ChEBI: 77250

PubChem (CID): 86289196

Reactome: 389569

HMDB: HMDB02057

MetaNetX: MNXM108213