3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA

Chemical Formula:

C₃₀H₄₀N₇O₁₉P₃S

Molecular Weight:

927.663 Daltons

Monoisotopic Mass:

931.1625524887 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]

InChI:

1S/C30H44N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)11-18(39)16-3-5-17(38)6-4-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,14-15,18-19,23-25,29,38-39,42-43H,7-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-4/t18-,19+,23+,24+,25-,29+/m0/s1

InChIKey:

VDDFXUMTXCQMFM-UGDQNKSBSA-J

Synonyms

3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA

Databases

MetaCyc: CPD-12199

PubChem (CID): 122706518

ChEBI: 73549

MetaNetX: MNXM163677