(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE (CHEBI:40120)

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CHEBI:40120 - (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE

Default Structure

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ChEBI ID	CHEBI:40120
ChEBI Name	(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE
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Downloads	Molfile

Formula	C17H36O22P4
Net Charge	0
Average Mass	716.349
Monoisotopic Mass	716.06487
SMILES	[H]O[C@@]([H])(O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])O[P@@](=O)(O[H])O[C@]1([H])[C@]([H])(O[H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(OP(=O)(O[H])O[H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]1([H])O[H])C([H])([H])C([H])([H])C([H])([H])[H]
InChI	InChI=1S/C17H36O22P4/c1-3-5-10(18)33-7-9(35-11(19)6-4-2)8-34-43(31,32)39-14-12(20)15(36-40(22,23)24)17(38-42(28,29)30)16(13(14)21)37-41(25,26)27/h9,11-17,19-21H,3-8H2,1-2H3,(H,31,32)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t9-,11+,12+,13+,14-,15+,16-,17-/m1/s1
InChIKey	JPQZDANYJXWKKH-XKUBOQIMSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE (CHEBI:40120) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxybutoxy)propyl butanoate	PDBeChem
(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE	PDBeChem

Manual Xrefs	Databases
4PT	PDBeChem