AAL Toxin TA1 (CHEBI:219270)

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CHEBI:219270 - AAL Toxin TA1

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ChEBI ID	CHEBI:219270
ChEBI Name	AAL Toxin TA1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H47NO10
Net Charge	0
Average Mass	521.648
Monoisotopic Mass	521.32000
SMILES	CC[C@@H](C)[C@@H](O)[C@H](C[C@@H](C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChI	InChI=1S/C25H47NO10/c1-4-16(3)24(33)21(36-23(32)12-17(25(34)35)11-22(30)31)10-15(2)8-6-5-7-9-19(28)20(29)13-18(27)14-26/h15-21,24,27-29,33H,4-14,26H2,1-3H3,(H,30,31)(H,34,35)/t15-,16+,17+,18-,19+,20-,21-,24+/m0/s1
InChIKey	YKGILJZVMMTMQS-YIEPZGSCSA-N

Species of Metabolite	Component	Source	Comments
Alternaria (ncbitaxon:5598)	-	DOI (10.1021/jf00038a018)

ChEBI Ontology

Outgoing Relation(s)
	AAL Toxin TA1 (CHEBI:219270) is a carbonyl compound (CHEBI:36586)

IUPAC Name
(2R)-2-[2-[(3R,4R,5S,7S,13R,14S,16S)-17-amino-4,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-5-yl]oxy-2-oxoethyl]butanedioic acid

Manual Xrefs	Databases
8250938	ChemSpider