CHEBI:2913 - Atractyloside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Atractyloside
ChEBI ID CHEBI:2913
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C30H44K2O16S2
C30H44O16S2.2K
Net Charge 0
Average Mass 802.991
Monoisotopic Mass 802.13449
InChI InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1
InChIKey IUCNQFHEWLYECJ-FNAJZLPOSA-L
SMILES O=C([C@H]1[C@@]2([C@]([C@]3([C@@]4([C@H](C(=C)[C@@H](C4)CC3)O)CC2)[H])(C[C@H](O[C@H]5[C@@H]([C@H]([C@H](OS([O-])(=O)=O)[C@H](O5)CO)OS(=O)([O-])=O)OC(CC(C)C)=O)C1)C)[H])O.[K+].[K+]
ChEBI Ontology
Outgoing Atractyloside (CHEBI:2913) is a organic molecular entity (CHEBI:50860)
Synonym Source
Atractyloside KEGG COMPOUND
Manual Xrefs Databases
C00003405 KNApSAcK
C09064 KEGG COMPOUND
View more database links
Registry Number Type Source
17754-44-8 CAS Registry Number KEGG COMPOUND
Last Modified
25 October 2017