trans-dec-3-enoyl-CoA (Q27109955)

trans-3-decenoyl-CoA (English)

5 October 2016

chemical formula

C₃₁H₅₂N₇O₁₇P₃S

1 reference

trans-3-decenoyl-CoA (English)

5 October 2016

canonical SMILES

CCCCCCC=CCC(=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-3-decenoyl-CoA (English)

5 October 2016

isomeric SMILES

CCCCCC/C=C/CC(=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

Recon 2.2: from reconstruction to model of human metabolism

trans-3-decenoyl-CoA (English)

5 October 2016

1 reference

1 reference

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

Identifiers

InChI

InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h9-10,18-20,24-26,30,41-42H,4-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b10-9+/t20-,24-,25-,26+,30-/m1/s1

1 reference

trans-3-decenoyl-CoA (English)

CQGVNMQHZQJNII-ZJZQAHHTSA-N

5 October 2016

InChIKey

2 references

trans-3-decenoyl-CoA (English)

CAS (formerly Chemical Abstracts Service)

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

6410-54-4

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