15-hydroxypentadecanoyl-CoA (Q27158404)

omega-hydroxypentadecanoyl-CoA (English)

9 October 2016

chemical formula

C₃₆H₆₄N₇O₁₈P₃S

1 reference

omega-hydroxypentadecanoyl-CoA (English)

9 October 2016

canonical SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCO)O

1 reference

omega-hydroxypentadecanoyl-CoA (English)

9 October 2016

isomeric SMILES

CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCO)O

1 reference

omega-hydroxypentadecanoyl-CoA (English)

InChI=1S/C36H64N7O18P3S/c1-36(2,31(48)34(49)39-17-16-26(45)38-18-20-65-27(46)15-13-11-9-7-5-3-4-6-8-10-12-14-19-44)22-58-64(55,56)61-63(53,54)57-21-25-30(60-62(50,51)52)29(47)35(59-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,44,47-48H,3-22H2,1-2H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/t25-,29-,30-,31+,35-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

omega-hydroxypentadecanoyl-CoA (English)

QFVWXEJCMKEMQT-VTINEICCSA-N

9 October 2016

InChIKey

2 references

omega-hydroxypentadecanoyl-CoA (English)

9 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)

9 October 2016

1 reference