(3R)-3-hydroxypentanoyl-CoA

(3<i>R</i>)-3-hydroxypentanoyl-CoA




Chemical Formula:
C26H40N7O18P3S
Molecular Weight:
863.619 Daltons
Monoisotopic Mass:
867.1676378666 Daltons
SMILES:
CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O
InChI:
1S/C26H44N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,34,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,15-,19-,20-,21?,25-/m1/s1
InChIKey:
YYGYPCRWZMLSGK-ORUMCERNSA-J

Synonyms
  • D-β-hydroxyvaleryl-CoA
  • (3R)-3-hydroxyvaleryl-CoA

Databases
MetaCyc:  CPD-13533
PubChem (CID):  54758578 131708367
Seed:  cpd23920
MetaNetX:  MNXM13738
ChEBI:  138587