(2E,7Z)-hexadecadienoyl-CoA

Chemical Formula:

C₃₇H₆₂N₇O₁₇P₃S

Molecular Weight:

1001.914 Daltons

Monoisotopic Mass:

1001.31358 Daltons

SMILES:

[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)/C=C/CCC/C=C\CCCCCCCC)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O

InChI:

1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,16-17,24-26,30-32,36,47-48H,4-10,13-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b12-11-,17-16+/t26-,30-,31-,32+,36-/m1/s1

InChIKey:

YQARRKBGBKPBCX-DVZFGLDUSA-N

Synonyms

trans-2,cis-7-hexadecadienoyl-CoA

Databases

PubChem (CID): 91828300

ChEBI: 88086