biotinyl-CoA
Chemical Formula:
C31H46N9O18P3S2
Molecular Weight:
989.795 Daltons
Monoisotopic Mass:
993.1928067596001 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCC1(SC[CH]2(NC(=O)N[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
InChI:
1S/C31H50N9O18P3S2/c1-31(2,25(44)28(45)34-8-7-19(41)33-9-10-62-20(42)6-4-3-5-18-21-16(12-63-18)38-30(46)39-21)13-55-61(52,53)58-60(50,51)54-11-17-24(57-59(47,48)49)23(43)29(56-17)40-15-37-22-26(32)35-14-36-27(22)40/h14-18,21,23-25,29,43-44H,3-13H2,1-2H3,(H,33,41)(H,34,45)(H,50,51)(H,52,53)(H2,32,35,36)(H2,38,39,46)(H2,47,48,49)/p-4/t16-,17+,18-,21-,23+,24+,25-,29+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-203
ChEBI:
15516
PubChem (CID):
90658813
KEGG:
C01894
Seed:
cpd01302
MetaNetX:
MNXM3551