Product Name:
3-cis-decenoyl-CoA
Other Names: 3-cis-decenoyl-CoA;(3Z)-decenoyl-CoA;10:1-Delta3-CoA;(3Z)-dec-3-enoyl-CoA;10:1(n-7)-CoA
Other Names: 3-cis-decenoyl-CoA;(3Z)-decenoyl-CoA;10:1-Delta3-CoA;(3Z)-dec-3-enoyl-CoA;10:1(n-7)-CoA
Structural Information
Molecular Formula | C31H48N7O17P3S-4 | Molecular Weight | 915.7 | ||
IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(Z)-dec-3-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
InChIKey | CQGVNMQHZQJNII-UUSBZYPOSA-J | ||||
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)/p-4/b10-9-/t20-,24-,25-,26+,30-/m1/s1 | ||||
SMILES | CCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O |