trans-4-carboxybut-2-enoyl-CoA (Q3109306)

glutaconyl-CoA (English)

3 October 2016

chemical formula

C₂₆H₄₀N₇O₁₉P₃S

1 reference

glutaconyl-CoA (English)

3 October 2016

canonical SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CCC(=O)O)O

1 reference

glutaconyl-CoA (English)

3 October 2016

isomeric SMILES

CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/CC(=O)O)O

1 reference

glutaconyl-CoA (English)

InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b5-3+/t14-,19-,20-,21+,25-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

glutaconyl-CoA (English)

URTLOTISFJPPOU-DEGQQWIJSA-N

3 October 2016

InChIKey

2 references

glutaconyl-CoA (English)

imported from Wikimedia project

3 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

6712-05-6

1 reference

1 reference

Glutaconyl-CoA (English)

3 October 2016

1 reference

glutaconyl-CoA (English)

3 October 2016

ChEBI ID

15497

mapping relation type

1 reference