(S)-3-hydroxyisobutyryl-CoA (Q27103588)

(S)-3-hydroxyisobutanoyl-CoA (English)

5 October 2016

chemical formula

C₂₅H₄₂N₇O₁₈P₃S

1 reference

(S)-3-hydroxyisobutanoyl-CoA (English)

5 October 2016

canonical SMILES

CC(CO)C(=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

(S)-3-hydroxyisobutanoyl-CoA (English)

5 October 2016

isomeric SMILES

C[C@@H](CO)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

A community-driven global reconstruction of human metabolism.

(S)-3-hydroxyisobutanoyl-CoA (English)

5 October 2016

1 reference

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1

1 reference

(S)-3-hydroxyisobutanoyl-CoA (English)

WWEOGFZEFHPUAM-UQCJFRAESA-N

5 October 2016

InChIKey

2 references

(S)-3-hydroxyisobutanoyl-CoA (English)

CAS (formerly Chemical Abstracts Service)

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

319440-43-2

1 reference

stated in

25 January 2022

1 reference

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

1 reference