CHEBI:184805 - 2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-18-hydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid

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ChEBI Name 2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-18-hydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid
ChEBI ID CHEBI:184805
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H59NO13
Net Charge 0
Average Mass 689.840
Monoisotopic Mass 689.39864
InChI InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)
InChIKey WYYKRDVIBOEORL-UHFFFAOYSA-N
SMILES O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CCCCCCCCC(O)C(N)C)C)C(=O)CC(CC(O)=O)C(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via fumonisin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-18-hydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid (CHEBI:184805) is a fumonisin (CHEBI:38224)
IUPAC Name
2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Manual Xrefs Databases
26502521 ChemSpider
HMDB0040968 HMDB
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