citronellyll-CoA

Chemical Formula:

C₃₁H₄₈N₇O₁₇P₃S

Molecular Weight:

915.738 Daltons

Monoisotopic Mass:

919.2353235013001 Daltons

SMILES:

CC(C)=CCCC(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/C31H52N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,16-17,19-20,24-26,30,41-42H,6,8-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t19?,20-,24-,25-,26+,30-/m1/s1

InChIKey:

VDDADDVBKMQECN-OUDFDEKCSA-J

Synonyms

citronellyll-coenzyme A

Databases

MetaCyc: CPD-12896

PubChem (CID): 54758682

KEGG: C16464

Seed: cpd15168

MetaNetX: MNXM5095

ChEBI: 80508