sinapoyl-CoA
Chemical Formula:
C32H42N7O20P3S
Molecular Weight:
969.7 Daltons
Monoisotopic Mass:
973.1731171749999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=C(OC)C=1))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/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38-23-28(33)36-15-37-29(23)39/h5-6,11-12,15-16,20,25-27,31,42-44H,7-10,13-14H2,1-4H3,(H,34,40)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/b6-5+/t20-,25-,26-,27+,31-/m1/s1
InChIKey:
Synonyms
- sinapinoyl-CoA
Databases
MetaCyc:
SINAPOYL-COA
ChEBI:
57393
PubChem (CID):
44229225
KEGG:
C00411
Seed:
cpd00326
MetaNetX:
MNXM953