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CHEBI:207279 - Fumonisin C4

ChEBI IDCHEBI:207279
ChEBI NameFumonisin C4
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SubmitterMetaboLights
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FormulaC33H57NO13
Net Charge0
Average Mass675.813
Monoisotopic Mass675.38299
SMILESCCCC[C@@H](C)[C@@H](OC(=O)CC(CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCCCC[C@H](O)CN)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C33H57NO13/c1-4-5-13-22(3)31(47-30(41)19-24(33(44)45)17-28(38)39)26(46-29(40)18-23(32(42)43)16-27(36)37)15-21(2)12-10-8-6-7-9-11-14-25(35)20-34/h21-26,31,35H,4-20,34H2,1-3H3,(H,36,37)(H,38,39)(H,42,43)(H,44,45)/t21-,22+,23?,24?,25-,26-,31+/m0/s1
InChIKeyXRBVYXJCGATDLV-ZRQMLQCCSA-N
Species of MetaboliteComponentSourceComments
Fusarium verticillioides (ncbitaxon:117187) - PubMed (7582632)
ChEBI Ontology
Outgoing Relation(s)
Fumonisin C4 (CHEBI:207279) has functional parent pentacarboxylic acid (CHEBI:35743)
Fumonisin C4 (CHEBI:207279) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-[(5R,6R,7S,9S,18S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
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78443595ChemSpider