3-hydroxypropanoyl-CoA

Chemical Formula:

C₂₄H₃₆N₇O₁₈P₃S

Molecular Weight:

835.566 Daltons

Monoisotopic Mass:

839.1363377382 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCO)=O)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/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/m1/s1

InChIKey:

BERBFZCUSMQABM-IEXPHMLFSA-J

Synonyms

3-hydroxypropionyl-coenzyme A
3-hydroxypropionyl-CoA
3-hydroxypropanoyl coenzymeA

Databases

MetaCyc: 3-HYDROXY-PROPIONYL-COA

RefMet: 3-hydroxypropanoyl-CoA

MetaboLights: MTBLC58528

HMDB: HMDB06807

ChEBI: 58528

PubChem (CID): 44229175

KEGG: C05668

Seed: cpd03375

MetaNetX: MNXM1263