pent-2-enoyl-CoA (Q27103424)

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

retrieved

5 October 2016

chemical formula

C₂₆H₄₂N₇O₁₇P₃S

0 references

canonical SMILES

CCC=CC(=O)SCCN=C(CCN=C(C(C(C)(C)COP(O)(=O)OP(O)(=O)OCC1(C(C(C(N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(OP(O)(O)=O)[H])[H])(O)[H])O)O

1 reference

language of work or name

English

title

pent-2-enoyl-CoA (English)

retrieved

5 October 2016

isomeric SMILES

CCC=CC(=O)SCCN=C(CCN=C([C@@](C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([C@]([C@]([C@](N2C=NC3=C(N)N=CN=C32)(O1)[H])(O)[H])(OP(O)(O)=O)[H])[H])(O)[H])O)O

1 reference

language of work or name

English

title

pent-2-enoyl-CoA (English)

retrieved

5 October 2016

Identifiers

InChI

InChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1

1 reference

language of work or name

English

title

pent-2-enoyl-CoA (English)

retrieved

5 October 2016

InChIKey

GJSFKOVNQYGUGN-ZMHDXICWSA-N

2 references

language of work or name

English

title

pent-2-enoyl-CoA (English)

retrieved

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~- (English)

5 October 2016

2 references

26 December 2021

matched by identifier from