propanoyl-CoA

Chemical Formula:

C₂₄H₃₆N₇O₁₇P₃S

Molecular Weight:

819.566 Daltons

Monoisotopic Mass:

823.1414231161 Daltons

SMILES:

CCC(=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/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t13-,17-,18-,19+,23-/m1/s1

InChIKey:

QAQREVBBADEHPA-IEXPHMLFSA-J

Synonyms

n-propionyl-CoA
propionyl-CoA
propionyl-coenzyme A

Databases

MetaCyc: PROPIONYL-COA

RefMet: Propionyl-CoA

BiGG: ppcoa

PubChem (CID): 45266613 92753

MetaboLights: MTBLC57392

HMDB: HMDB01275

ChEBI: 57392 15539

KEGG: C00100

CAS: 317-66-8

PupChem (SID): 3400

NIKKAJI: J1.695.704F

PDB-CCD: 1VU

LIPID MAPS: LMFA07050364

MetaNetX: MNXM86