AAL Toxin Td1 (CHEBI:225911)

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CHEBI:225911 - AAL Toxin Td1

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ChEBI ID	CHEBI:225911
ChEBI Name	AAL Toxin Td1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H49NO10
Net Charge	0
Average Mass	547.686
Monoisotopic Mass	547.33565
SMILES	CC[C@@H](C)C(O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)CNC(C)=O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChI	InChI=1S/C27H49NO10/c1-5-18(3)26(35)23(38-25(34)14-20(27(36)37)13-24(32)33)12-17(2)10-8-6-7-9-11-21(30)15-22(31)16-28-19(4)29/h17-18,20-23,26,30-31,35H,5-16H2,1-4H3,(H,28,29)(H,32,33)(H,36,37)/t17-,18+,20+,21+,22-,23-,26?/m0/s1
InChIKey	QEQNOUGFCMZARY-VPPSHALWSA-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 Td1 (CHEBI:225911) is a carbonyl compound (CHEBI:36586)

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

Manual Xrefs	Databases
78440318	ChemSpider