(S)-3-hydroxyhexanoyl-CoA

Chemical Formula:

C₂₇H₄₂N₇O₁₈P₃S

Molecular Weight:

877.646 Daltons

Monoisotopic Mass:

881.1832879308 Daltons

SMILES:

CCCC(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/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)/p-4/t15-,16+,20+,21+,22?,26+/m0/s1

InChIKey:

VAAHKRMGOFIORX-DWUFXMDISA-J

Synonyms

OH-hexanoyl-CoA
3-OH-hexanoyl-CoA

Databases

MetaCyc: OH-HEXANOYL-COA

BiGG: 3hhcoa

MetaboLights: MTBLC28276

HMDB: HMDB03942

LIPID MAPS: LMFA07050017

PubChem (CID): 49859661 52921626

ChEBI: 28276 62075

KEGG: C05268

Reactome: 77322

Seed: cpd03122

MetaNetX: MNXM757