7-methyl-3-oxooctanoyl-CoA (Q27089488)

7-Methyl-3-oxooctanoyl-CoA (English)

4 October 2016

chemical formula

C₃₀H₅₀N₇O₁₈P₃S

1 reference

7-Methyl-3-oxooctanoyl-CoA (English)

4 October 2016

canonical SMILES

CC(C)CCCC(=O)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

7-Methyl-3-oxooctanoyl-CoA (English)

4 October 2016

isomeric SMILES

CC(C)CCCC(=O)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

7-Methyl-3-oxooctanoyl-CoA (English)

InChI=1S/C30H50N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h15-17,19,23-25,29,41-42H,5-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1

4 October 2016

Identifiers

InChI

1 reference

7-Methyl-3-oxooctanoyl-CoA (English)

VAMSVBPIVXQTFY-FUEUKBNZSA-N

4 October 2016

InChIKey

2 references

7-Methyl-3-oxooctanoyl-CoA (English)

4 October 2016

stated in

ChEBI release 2020-09-01

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)

4 October 2016

1 reference