hexanoyl-CoA

Chemical Formula:

C₂₇H₄₂N₇O₁₇P₃S

Molecular Weight:

861.647 Daltons

Monoisotopic Mass:

865.1883733087 Daltons

SMILES:

CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20-,21-,22+,26-/m1/s1

InChIKey:

OEXFMSFODMQEPE-HDRQGHTBSA-J

Synonyms

hexanoyl-coenzyme A

Databases

MetaCyc: HEXANOYL-COA

RefMet: Hexanoyl-CoA

BiGG: hxcoa

ChEBI: 62620

PubChem (CID): 53262356 449118

MetaboLights: MTBLC27540

HMDB: HMDB02845

DRUGBANK: DB02563

KEGG: C05270

CAS: 5060-32-2

Reactome: 77326

Seed: cpd03124

MetaNetX: MNXM553