EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233618 - N-(hexacosanoyl)-fumonisin B1(4−)

ChEBI IDCHEBI:233618
ChEBI NameN-(hexacosanoyl)-fumonisin B1(4−)
Stars
ASCII NameN-(hexacosanoyl)-fumonisin B1(4-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC60H105NO16
Net Charge-4
Average Mass1096.491
Monoisotopic Mass1095.74553
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@@H](O)C[C@H](O)CCCC[C@@H](O)C[C@H](C)C[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@H](C)CCCC
InChIInChI=1S/C60H109NO16/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36-53(65)61-46(5)51(64)43-50(63)35-32-31-34-49(62)37-44(3)38-52(76-56(70)41-47(59(72)73)39-54(66)67)58(45(4)33-9-7-2)77-57(71)42-48(60(74)75)40-55(68)69/h44-52,58,62-64H,6-43H2,1-5H3,(H,61,65)(H,66,67)(H,68,69)(H,72,73)(H,74,75)/p-4/t44-,45+,46-,47+,48+,49+,50+,51-,52-,58+/m0/s1
InChIKeySQAICXZBHATPGC-QYGMVJDMSA-J
ChEBI Ontology
Outgoing Relation(s)
N-(hexacosanoyl)-fumonisin B1(4−) (CHEBI:233618) has functional parent fumonisin B1 (CHEBI:38221)
N-(hexacosanoyl)-fumonisin B1(4−) (CHEBI:233618) is a tetracarboxylic acid anion (CHEBI:35754)
UniProt Name  Source
N-(hexacosanoyl)-fumonisin B1UniProt
Citations