CHEBI:168523 - 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose

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ChEBI Name 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose
ChEBI ID CHEBI:168523
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H25NO10
Net Charge 0
Average Mass 367.351
Monoisotopic Mass 367.14785
InChI InChI=1S/C14H25NO10/c1-5-9(20)11(22)12(23)14(24-5)25-13(10(21)8(19)4-17)7(3-16)15-6(2)18/h3,5,7-14,17,19-23H,4H2,1-2H3,(H,15,18)/t5-,7-,8+,9+,10+,11+,12-,13+,14-/m0/s1
InChIKey YDWJUIXDZSJZHH-MYCHVAHWSA-N
SMILES O1[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(=O)C)C=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose (CHEBI:168523) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
N-[(2R,3R,4R,5R)-4,5,6-trihydroxy-1-oxo-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide
Manual Xrefs Databases
149653 ChemSpider
HMDB0006700 HMDB
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Registry Number Type Source
52630-68-9 CAS Registry Number ChemIDplus