3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate
Chemical Formula:
C30H40N7O20P3S
Molecular Weight:
943.662 Daltons
Monoisotopic Mass:
947.1574671108 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C=C(O)C(O)=CC=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/C30H44N7O20P3S/c1-30(2,25(44)28(45)33-6-5-20(41)32-7-8-61-21(42)10-17(39)15-3-4-16(38)18(40)9-15)12-54-60(51,52)57-59(49,50)53-11-19-24(56-58(46,47)48)23(43)29(55-19)37-14-36-22-26(31)34-13-35-27(22)37/h3-4,9,13-14,17,19,23-25,29,38-40,43-44H,5-8,10-12H2,1-2H3,(H,32,41)(H,33,45)(H,49,50)(H,51,52)(H2,31,34,35)(H2,46,47,48)/p-4/t17?,19-,23-,24-,25+,29-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-21376
ChEBI:
145752
PubChem (CID):
134820172