3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA

Chemical Formula:

C₃₂H₄₇N₇O₂₀P₃S

Molecular Weight:

974.739 Daltons

Monoisotopic Mass:

979.2200673676001 Daltons

SMILES:

CC(C)=CCCC(O)(CC([O-])=O)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/C32H52N7O20P3S/c1-18(2)6-5-8-32(47,12-21(41)42)13-22(43)63-11-10-34-20(40)7-9-35-29(46)26(45)31(3,4)15-56-62(53,54)59-61(51,52)55-14-19-25(58-60(48,49)50)24(44)30(57-19)39-17-38-23-27(33)36-16-37-28(23)39/h6,16-17,19,24-26,30,44-45,47H,5,7-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/p-5/t19-,24-,25-,26+,30-,32?/m1/s1

InChIKey:

ATTJZXQHBIJXLV-AWVQIHIZSA-I

Synonyms

3-hydroxy-3-isohexenyl-glutaryl-CoA

Databases

MetaCyc: 3-HYDROXY-3-4-METHYLPENT-3-EN-1-YLG-COA

HMDB: HMDB60372

ChEBI: 57341

PubChem (CID): 45266572

KEGG: C04675

Seed: cpd02849

MetaNetX: MNXM2078