(R)-3-hydroxyhexanoyl-CoA

Chemical Formula:

C₂₇H₄₆N₇O₁₈P₃S

Molecular Weight:

881.677 Daltons

Monoisotopic Mass:

881.18329 Daltons

SMILES:

CCC[C@H](CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O

InChI:

1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,20-,21-,22+,26-/m1/s1

InChIKey:

VAAHKRMGOFIORX-RLVCGTLZSA-N

Synonyms

(R)-3-hydroxyhexanoyl-coenzyme A

Databases

ChEBI: 74474 74280

MetaCyc: CPD-14915

MetaNetX: MNXM146686

PubChem (CID): 71581146