6-carboxyhex-2-enoyl-CoA

Chemical Formula:

C₂₈H₃₉N₇O₁₉P₃S

Molecular Weight:

902.633 Daltons

Monoisotopic Mass:

907.1625524887 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCC(=O)[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/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-5/b7-5+/t16-,21-,22-,23+,27-/m1/s1

InChIKey:

JLSPXYVUFSDGNY-RGWPIYMPSA-I

Synonyms

7-[2-[3-[4-[[[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-3- phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl] oxy-hydroxy-phosphinoyl]oxy-2-hydroxy-3,3-dimethyl-butanoyl] aminopropanoylamino]ethylsulfanyl]-7-oxo-hept-5-enoic acid

Databases

MetaCyc: 6-CARBOXYHEX-2-ENOYL-COA

ChEBI: 15503

PubChem (CID): 90657525

KEGG: C06723

Seed: cpd04111

MetaNetX: MNXM2771