(2E)-tricosenoyl-CoA (Q27162442)

trans-2-tricosenoyl-CoA (English)

9 October 2016

chemical formula

C₄₄H₇₈N₇O₁₇P₃S

1 reference

trans-2-tricosenoyl-CoA (English)

9 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

1 reference

trans-2-tricosenoyl-CoA (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

1 reference

trans-2-tricosenoyl-CoA (English)

InChI=1S/C44H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h23-24,31-33,37-39,43,54-55H,4-22,25-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/b24-23+/t33-,37-,38-,39+,43-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

trans-2-tricosenoyl-CoA (English)

CAWFROVHOZZJJP-DFNRIUMZSA-N

9 October 2016

InChIKey

2 references

trans-2-tricosenoyl-CoA (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

trans-2-tricosenoyl-CoA (English)

9 October 2016

ChEBI ID

90277

mapping relation type

1 reference