AAL Toxin Tc1 (CHEBI:203070)

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CHEBI:203070 - AAL Toxin Tc1

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ChEBI ID	CHEBI:203070
ChEBI Name	AAL Toxin Tc1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H47NO8
Net Charge	0
Average Mass	489.650
Monoisotopic Mass	489.33017
SMILES	CC[C@@H](C)[C@@H](O)[C@H](C[C@@H](C)CCCCCCCC[C@H](O)CN)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChI	InChI=1S/C25H47NO8/c1-4-18(3)24(31)21(34-23(30)15-19(25(32)33)14-22(28)29)13-17(2)11-9-7-5-6-8-10-12-20(27)16-26/h17-21,24,27,31H,4-16,26H2,1-3H3,(H,28,29)(H,32,33)/t17-,18+,19+,20-,21-,24+/m0/s1
InChIKey	YZFDWMLFJPNPJS-OAMJZWGLSA-N

Species of Metabolite	Component	Source	Comments
Alternaria alternata f.species lycopersici (ncbitaxon:1261141)	-	DOI (10.1021/jf00038a018)

ChEBI Ontology

Outgoing Relation(s)
	AAL Toxin Tc1 (CHEBI:203070) is a carbonyl compound (CHEBI:36586)

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

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78440150	ChemSpider