acryloyl-CoA

Chemical Formula:

C₂₄H₃₄N₇O₁₇P₃S

Molecular Weight:

817.551 Daltons

Monoisotopic Mass:

821.1257730519 Daltons

SMILES:

C=CC(=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/C24H38N7O17P3S/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/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(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:

POODSGUMUCVRTR-IEXPHMLFSA-J

Synonyms

acrylyl-coenzyme A
propenoyl-CoA
acrylyl-CoA

Databases

MetaCyc: ACRYLYL-COA

PubChem (CID): 45266595

MetaboLights: MTBLC57367

HMDB: HMDB02307

ChEBI: 57367 15513

KEGG: C00894

CAS: 5776-58-9

Seed: cpd00663

MetaNetX: MNXM650

PupChem (SID): 4150

LIPID MAPS: LMFA07050282

NIKKAJI: J1.210.753F