fumonisin B1

fumonisin B<sub>1</sub>




Chemical Formula:
C34H56NO15
Molecular Weight:
718.814 Daltons
Monoisotopic Mass:
722.3962952627 Daltons
SMILES:
CCCCC(C)C(OC(CC(C([O-])=O)CC(=O)[O-])=O)C(OC(=O)CC(C([O-])=O)CC([O-])=O)CC(C)CC(O)CCCCC(O)CC(O)C([N+])C
InChI:
1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/p-3/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
InChIKey:
UVBUBMSSQKOIBE-DSLOAKGESA-K

Synonyms
  • (2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid

Databases
MetaCyc:  CPD-13181
ChEBI:  62554
PubChem (CID):  52940220
Seed:  cpd20499
HMDB:  HMDB34702
MetaNetX:  MNXM5163
KEGG:  C19241